UCSF

ZINC09270391

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-(4-chlorophenyl)-1-(2-diethylaminoethyl)pyrrolidi 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 5.71 14.07 -69.54 1 6 0 74 499.051 12 ↓
Hi High (pH 8-9.5) 5.71 11.76 -55.14 0 6 -1 73 498.043 12 ↓
Mid Mid (pH 6-8) 5.13 1.42 -45.61 1 6 1 68 500.059 12 ↓

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