UCSF

ZINC34753215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 35 Yes

Popular Name: 2-[(4S)-4-[4-(3-ethyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]pentyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(4S)-4-[4-(3-ethyl-2-oxo-benz…

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) 3.04 11.69 -47.36 1 8 1 86 497.641 7 ↓
Hi High (pH 8-9.5) 3.04 9.84 -23.45 0 8 0 85 496.633 7 ↓

Activity (Go SEA)

Rings

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

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