UCSF

ZINC65527250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 28 No

Popular Name: 6-[(3aR)-2-[(2S)-5-methoxy-2H-benzimidazol-2-yl]-1,3a,4,6,7,8-hexahydropyrazolo[1,5-a][1,4]diazepin- 6-[(3aR)-2-[(2S)-5-methoxy-2H-be…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.95 5.02 -111.47 5 9 2 107 380.456 3 ↓
Lo Low (pH 4.5-6) 1.95 5.41 -162.74 6 9 3 109 381.464 3 ↓

Activity (Go SEA)

Rings

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

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