UCSF

ZINC67508914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methyl-1-oxo-isochromane-3-carboxamide (3S)-N-[2-(1H-benzimidazol-2-yl)…

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) 2.70 7.69 -15.25 2 6 0 84 349.39 4 ↓
Lo Low (pH 4.5-6) 2.70 8.15 -34.56 3 6 1 85 350.398 4 ↓

Activity (Go SEA)

Rings

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

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