UCSF

ZINC41585479

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: 7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-[[4-(2-fluorophenyl)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) 5.15 8.89 -11.47 1 5 0 53 457.427 4 ↓
Hi High (pH 8-9.5) 5.15 9.65 -41.78 0 5 -1 56 456.419 4 ↓
Mid Mid (pH 6-8) 5.15 11.1 -42.64 2 5 1 54 458.435 4 ↓

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

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