UCSF

ZINC65526846

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: (3S)-1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(1-ethylbenzimidazol-2…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.26 8.73 -50.19 0 6 -1 78 300.338 5 ↓
Mid Mid (pH 6-8) 1.26 9 -45.45 1 6 0 80 301.346 5 ↓
Lo Low (pH 4.5-6) 1.26 7.06 -31.73 2 6 1 77 302.354 5 ↓

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

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