UCSF

ZINC09359833

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

Popular Name: 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-pyrrolidine-2 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) 4.54 12.96 -77.34 1 6 0 74 470.997 10 ↓
Mid Mid (pH 6-8) 4.98 13.16 -47.08 2 6 1 71 472.005 9 ↓
Mid Mid (pH 6-8) 3.95 1.53 -46.81 1 6 1 68 472.005 10 ↓

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