UCSF

ZINC61440578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Popular Name: 1-[2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-one 1-[2-[(5-methyl-1H-benzimidazol-…

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) 1.70 6.67 -12.49 1 5 0 66 303.387 3 ↓
Lo Low (pH 4.5-6) 1.70 7.05 -39.95 2 5 1 67 304.395 3 ↓

Activity (Go SEA)

Rings

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

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