UCSF

ZINC21538235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 37 Yes

Popular Name: (5R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-3-(3,4-dimethylphenyl)-5H-imidazol-4- (5R)-2-[4-(1,3-benzodioxol-5-ylm…

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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) 4.96 14.41 -14.49 1 7 0 59 497.619 6 ↓
Mid Mid (pH 6-8) 2.49 15.39 -19.79 1 7 0 68 496.611 6 ↓
Mid Mid (pH 6-8) 2.49 17.68 -71.95 2 7 1 69 497.619 6 ↓
Mid Mid (pH 6-8) 2.49 13.21 -40.98 2 7 1 69 497.619 6 ↓
Lo Low (pH 4.5-6) 4.96 16.64 -71.1 2 7 0 60 498.627 6 ↓

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

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