UCSF

ZINC17823232

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 35 No

Popular Name: (4S)-5-methyl-4-[[(4R)-3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]-phenyl-methyl]-2-(p-tolyl)-4H-pyr (4S)-5-methyl-4-[[(4R)-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) 6.41 14.23 -17.21 0 6 0 65 464.569 5 ↓
Hi High (pH 8-9.5) 5.55 11.98 -129.93 0 6 -2 82 462.553 5 ↓
Mid Mid (pH 6-8) 4.63 14.47 -27.02 2 6 0 76 464.569 5 ↓
Mid Mid (pH 6-8) 5.09 12.33 -17.69 2 6 0 76 464.569 5 ↓

Activity (Go SEA)

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