UCSF

ZINC12470537

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 39 Yes

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

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Other Names:

MFCD01895850

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) 3.83 10 -22.93 2 9 0 104 526.593 8 ↓
Ref Reference (pH 7) 3.37 12.31 -30.73 2 9 0 103 526.593 8 ↓
Mid Mid (pH 6-8) 4.28 9.8 -140.11 0 9 -2 109 524.577 8 ↓

Activity (Go SEA)

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