UCSF

ZINC09243852

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

Popular Name: 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-pyrrolidine- 5-(4-chlorophenyl)-1-(3-dimethyl…

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Download: MOL2 SDF SMILES Flexibase

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) 4.15 12.02 -76.89 1 6 0 74 456.97 9 ↓
Mid Mid (pH 6-8) 4.60 12.3 -50.18 2 6 1 71 457.978 8 ↓
Mid Mid (pH 6-8) 3.57 1.41 -46.73 1 6 1 68 457.978 9 ↓

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