UCSF

ZINC09179093

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 32 No

Popular Name: 5-(3,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-p 5-(3,4-dichlorophenyl)-1-(3-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) 4.40 12.22 -75.49 1 6 0 74 477.388 8 ↓
Mid Mid (pH 6-8) 4.84 1.4 -46.64 2 6 1 71 478.396 7 ↓
Mid Mid (pH 6-8) 3.81 1.4 -51.01 1 6 1 68 478.396 8 ↓

Activity (Go SEA)

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