UCSF

ZINC00001814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: NIKETHAMIDE NIKETHAMIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59-26-7 , [59-26-7]

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) 0.42 4.49 -9.72 0 3 0 33 178.235 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.739 Bitter DB
BP [°C] 296 - 300 Acros Organics
Therapy analeptic SMDC Pharmakon
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H301: Toxic if swallowed; H331: Toxic if inhaled Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S24: Avoid contact with skin. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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