UCSF

ZINC09244045

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

Popular Name: 5-(2,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)-methylene] 5-(2,4-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) 4.86 11.54 -65.74 1 6 0 74 491.415 8 ↓
Hi High (pH 8-9.5) 4.86 9 -52.05 0 6 -1 73 490.407 8 ↓
Mid Mid (pH 6-8) 4.86 12.19 -44.56 2 6 1 71 492.423 8 ↓
Mid Mid (pH 6-8) 4.28 1.35 -46.38 1 6 1 68 492.423 8 ↓

Activity (Go SEA)

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