UCSF

ZINC41585324

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 Yes

Popular Name: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2-benzoxazol-6-ol 7-[[4-(3-chlorophenyl)piperazin-…

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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) 5.34 8.7 -11.64 1 5 0 53 419.912 4 ↓
Hi High (pH 8-9.5) 5.34 9.47 -44.06 0 5 -1 56 418.904 4 ↓
Mid Mid (pH 6-8) 5.34 10.91 -45.84 2 5 1 54 420.92 4 ↓

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

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