UCSF

ZINC17836487

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 34 Yes

Popular Name: 4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(2-hydroxyphenyl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol 4-[(5-hydroxy-3-methyl-1-phenyl-…

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Other Names:

MFCD00501529

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 8.16 -17.22 3 7 0 96 452.514 5 ↓
Ref Reference (pH 7) 3.68 10.75 -25.74 3 7 0 96 452.514 5 ↓
Mid Mid (pH 6-8) 4.59 8.72 -146.72 1 7 -2 102 450.498 5 ↓

Activity (Go SEA)

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