UCSF

ZINC01530331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 Yes

Popular Name: Myrcene Myrcene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 123-35-3 , [123-35-3]

Download: MOL2 SDF SMILES Flexibase

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) 3.99 7.33 -0.89 0 0 0 0 136.238 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 165 Acros Organics
Purity 70% Fluorochem
UniProt Database Links AFS1_MALDO; CIN1_ARATH; CIN2_ARATH; GEOA_CASDE; GEOB_CASDE; GTPS_CITLI; GTPS_ORIVU; LALIM_LAVAN; LDI_CASDE; MYRS2_ARATH; MYRS_OCIBA; MYRS_QUEIL; OCISB_ARATH; PHS1_SOLLC; PINS_FRAVE; PT10_PINTA; SCS_SALOF; TPS03_ARATH; TPS11_MAIZE; TPS1_SORBI; TPS2_ANTMA ChEBI
Patent Database Links GB2153679; US2001014661; US2007184133; US2008160155; US7288515 ChEBI
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; H304: May be fatal if swallowed and enters airways; H412: Harmful to aquatic life with long lasting effects 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 R10: Flammable. Acros Organics
R phrase R10: Flammable.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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