UCSF

ZINC67947509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[(3R)-3-(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) 2.05 8.68 -53.35 4 7 1 94 365.461 2 ↓
Hi High (pH 8-9.5) 2.51 6.94 -69.42 3 7 0 97 364.453 2 ↓
Mid Mid (pH 6-8) 2.05 9.16 -88.68 5 7 2 96 366.469 2 ↓

Activity (Go SEA)

Rings

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

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