UCSF

ZINC58343134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 No

Popular Name: N-cyclopropyl-1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidine-4-carboxamide N-cyclopropyl-1-[(3-methyl-2-thi…

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) 1.81 8.5 -19.82 1 5 0 42 344.484 4 ↓
Lo Low (pH 4.5-6) 1.81 10.66 -50.45 2 5 1 43 345.492 4 ↓

Activity (Go SEA)

Rings

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

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