UCSF

ZINC17720700

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 33 No

Popular Name: (4R)-5-methyl-4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-phenyl-4H-pyrazol-3 (4R)-5-methyl-4-[[(4S)-3-methyl-…

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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) 5.51 12.83 -16.76 0 6 0 65 436.515 5 ↓
Ref Reference (pH 7) 3.74 13.17 -27.04 2 6 0 76 436.515 5 ↓
Mid Mid (pH 6-8) 4.65 12.77 -128.66 0 6 -2 82 434.499 5 ↓
Mid Mid (pH 6-8) 4.20 10.87 -23.2 2 6 0 76 436.515 5 ↓

Activity (Go SEA)

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