UCSF

ZINC41585776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Popular Name: 7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-[[4-(4-methoxyphenyl)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) 5.09 7.96 -11.34 1 6 0 62 469.463 5 ↓
Hi High (pH 8-9.5) 5.09 8.55 -38.41 0 6 -1 65 468.455 5 ↓
Mid Mid (pH 6-8) 5.09 10.19 -47.73 2 6 1 63 470.471 5 ↓

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

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