UCSF

ZINC53357476

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 27 Yes

Popular Name: 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one 1-[(2R)-2-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.95 10.08 -17.27 1 5 0 58 363.461 6 ↓
Lo Low (pH 4.5-6) 3.95 10.59 -29.01 2 5 1 59 364.469 6 ↓

Activity (Go SEA)

Rings

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

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