UCSF

ZINC21538239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 Yes

Popular Name: (5R)-5-benzyl-3-(3,4-dimethylphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-5H-imida (5R)-5-benzyl-3-(3,4-dimethylphe…

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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) 4.72 15.97 -9.89 0 6 0 44 483.66 7 ↓
Mid Mid (pH 6-8) 2.25 15.55 -40.11 2 6 1 55 484.668 7 ↓
Mid Mid (pH 6-8) 2.25 17.73 -18.68 1 6 0 54 483.66 7 ↓
Mid Mid (pH 6-8) 2.25 20.01 -74.3 2 6 1 55 484.668 7 ↓

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Rings

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

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