UCSF

ZINC41585180

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Substance Information

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

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

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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) 4.85 8.26 -10.22 1 5 0 53 403.457 4 ↓
Hi High (pH 8-9.5) 4.85 9.03 -41.66 0 5 -1 56 402.449 4 ↓
Mid Mid (pH 6-8) 4.85 10.49 -43.85 2 5 1 54 404.465 4 ↓

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

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