UCSF

ZINC65508463

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 27 Yes

Popular Name: 2-[(4S,5R)-5-phenyl-3-(2-pyrrolidin-1-ylethyl)-4,5-dihydroimidazol-4-yl]-2H-benzimidazole 2-[(4S,5R)-5-phenyl-3-(2-pyrroli…

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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) 3.51 11.25 -326.04 4 5 4 50 363.509 5 ↓
Hi High (pH 8-9.5) 3.51 8.79 -200.98 3 5 3 48 362.501 5 ↓
Hi High (pH 8-9.5) 3.51 7.77 -105.78 2 5 2 47 361.493 5 ↓
Mid Mid (pH 6-8) 3.51 10.23 -196.41 3 5 3 48 362.501 5 ↓

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

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