UCSF

ZINC41585928

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 3.95 8.08 -33.96 2 6 1 67 405.453 4 ↓
Hi High (pH 8-9.5) 3.95 8.53 -43.31 0 6 -1 68 403.437 4 ↓
Mid Mid (pH 6-8) 3.95 9.99 -43.1 2 6 1 67 405.453 4 ↓
Mid Mid (pH 6-8) 3.95 10.3 -97.18 3 6 2 68 406.461 4 ↓
Mid Mid (pH 6-8) 3.95 7.76 -11.53 1 6 0 66 404.445 4 ↓

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

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