UCSF

ZINC41585269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene (2Z)-7-[[4-(3-chlorophenyl)piper…

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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) 6.31 11.97 -10.3 1 5 0 57 486.999 5 ↓
Mid Mid (pH 6-8) 6.31 14.79 -31.22 1 5 0 61 486.999 5 ↓
Mid Mid (pH 6-8) 6.31 14.23 -50.01 2 5 1 58 488.007 5 ↓
Mid Mid (pH 6-8) 6.31 12.57 -44.56 0 5 -1 60 485.991 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.