UCSF

ZINC09184818

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 31 No

Popular Name: 5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-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 10.91 -72.89 1 6 0 74 463.361 7 ↓
Hi High (pH 8-9.5) 4.13 8.38 -52.72 0 6 -1 73 462.353 7 ↓
Mid Mid (pH 6-8) 4.57 1.85 -52.65 2 6 1 71 464.369 6 ↓
Mid Mid (pH 6-8) 3.54 1.07 -52.04 1 6 1 68 464.369 7 ↓

Activity (Go SEA)

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