UCSF

ZINC41585933

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-[[4-(2-pyridyl)piperazin-1-yl]…

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Download: MOL2 SDF SMILES Flexibase

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) 4.13 8.46 -36.9 2 6 1 67 441.433 4 ↓
Hi High (pH 8-9.5) 4.13 8.72 -39.02 0 6 -1 68 439.417 4 ↓
Mid Mid (pH 6-8) 4.13 10.41 -45.03 2 6 1 67 441.433 4 ↓
Mid Mid (pH 6-8) 4.13 10.73 -101.83 3 6 2 68 442.441 4 ↓
Mid Mid (pH 6-8) 4.13 8.15 -11.91 1 6 0 66 440.425 4 ↓

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Rings

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

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