UCSF

ZINC08818075

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

Popular Name: 5-(2,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-p 5-(2,4-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 11.55 -72.98 1 6 0 74 477.388 8 ↓
Mid Mid (pH 6-8) 4.84 10.39 -43.42 2 6 1 71 478.396 7 ↓
Mid Mid (pH 6-8) 3.81 11.43 -45.46 1 6 1 68 478.396 8 ↓

Activity (Go SEA)

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