UCSF

ZINC01576892

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: Hexylresorcinol Hexylresorcinol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136-77-6 , [136-77-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 3.4 -4.87 2 2 0 40 194.274 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 178 / 6 TCI
BP [°C] 333 - 335 Acros Organics
Boiling_Point 333-335? Alfa-Aesar
Boiling_Point 333-335° Alfa-Aesar
Melting_Point 64-67? Alfa-Aesar
Melting_Point 64-67° Alfa-Aesar
MP 65 - 67 Enamine Building Blocks
Mp [°C] 65 - 70 Acros Organics
MP 65...67 Enamine Building Blocks
MP 67 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Therapy anthelmintic, topical antiseptic SMDC Pharmakon
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 980 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 980 0.60 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 980 0.60 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )