UCSF

ZINC63747039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 32 No

Popular Name: (5S)-3-[4-(azepan-1-yl)phenyl]-N-[[(2R)-5-methyl-2H-benzimidazol-2-yl]methyl]-4,5-dihydro-1,2,4-oxad (5S)-3-[4-(azepan-1-yl)phenyl]-N…

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) 3.24 6.21 -104.2 4 8 2 94 434.544 5 ↓
Mid Mid (pH 6-8) 3.24 6.52 -175.57 5 8 3 95 435.552 5 ↓

Activity (Go SEA)

Rings

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

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