UCSF

ZINC53523509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 32 Yes

Popular Name: (1S)-1-(1H-benzimidazol-2-yl)-N-[[7-fluoro-2-(3-methoxyphenyl)-3-quinolyl]methyl]ethanamine (1S)-1-(1H-benzimidazol-2-yl)-N-…

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) 5.05 9.38 -18.77 2 5 0 63 426.495 6 ↓
Mid Mid (pH 6-8) 5.05 9.86 -39.38 3 5 1 64 427.503 6 ↓
Lo Low (pH 4.5-6) 5.05 11.34 -144.25 4 5 2 69 428.511 6 ↓

Activity (Go SEA)

Rings

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

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