UCSF

ZINC41585929

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.32 8.68 -36.78 2 7 1 76 431.516 6 ↓
Hi High (pH 8-9.5) 4.32 8.95 -45.91 0 7 -1 78 429.5 6 ↓
Mid Mid (pH 6-8) 4.32 10.63 -40.9 2 7 1 76 431.516 6 ↓
Mid Mid (pH 6-8) 4.32 10.94 -96.07 3 7 2 77 432.524 6 ↓
Mid Mid (pH 6-8) 4.32 8.36 -13.35 1 7 0 75 430.508 6 ↓

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

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