UCSF

ZINC02487496

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 14 Yes

Popular Name: 2-(4-hydroxyphenyl)-5-methyl-3-pyrazolin-3-one 2-(4-hydroxyphenyl)-5-methyl-3-p…

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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) 0.85 2.08 -15.33 2 4 0 58 190.202 1 ↓
Mid Mid (pH 6-8) 1.31 0.95 -47.45 1 4 -1 61 189.194 1 ↓
Mid Mid (pH 6-8) 1.31 0.17 -8.39 2 4 0 58 190.202 1 ↓

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