UCSF

ZINC41585350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

Popular Name: 3-chloro-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-chloro-8-[[4-(3-chlorophenyl)p…

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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) 4.36 6.47 -10.69 1 5 0 57 405.281 3 ↓
Hi High (pH 8-9.5) 4.36 7.23 -39.53 0 5 -1 60 404.273 3 ↓
Mid Mid (pH 6-8) 4.36 8.7 -56.78 2 5 1 58 406.289 3 ↓

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

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