UCSF

ZINC41585771

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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

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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) 4.91 7.84 -11.84 1 6 0 62 433.483 5 ↓
Hi High (pH 8-9.5) 4.91 8.43 -41.8 0 6 -1 65 432.475 5 ↓
Mid Mid (pH 6-8) 4.91 10.09 -45.24 2 6 1 63 434.491 5 ↓

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

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