UCSF

ZINC65534780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 2-(1-azocanyl)-N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)acetohydrazide 2-(1-azocanyl)-N'-(3-bromo-4-hyd…

Find On: PubMed — Wikipedia — Google

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) 0.75 7.89 -45.16 1 5 1 41 303.43 2 ↓
Lo Low (pH 4.5-6) 0.75 8.22 -90.05 2 5 2 42 304.438 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.