UCSF

ZINC09334152

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 No

Popular Name: 5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-py 5-(3,4-dichlorophenyl)-1-(2-dime…

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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) 4.13 11.07 -70.81 1 6 0 74 463.361 7 ↓
Hi High (pH 8-9.5) 4.13 8.54 -56.1 0 6 -1 73 462.353 7 ↓
Mid Mid (pH 6-8) 3.54 0.79 -50.75 1 6 1 68 464.369 7 ↓

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