UCSF

ZINC36357893

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 Yes

Popular Name: (4S)-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyr (4S)-4-[3-(4-methoxyphenyl)-1H-p…

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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) 2.17 1.07 -53.16 2 10 -1 137 416.421 4 ↓
Ref Reference (pH 7) 1.99 3.7 -48.96 2 10 -1 134 416.421 4 ↓
Mid Mid (pH 6-8) 1.99 3.42 -53.32 2 10 -1 134 416.421 4 ↓
Mid Mid (pH 6-8) 2.17 0.68 -56.98 2 10 -1 137 416.421 4 ↓
Lo Low (pH 4.5-6) 1.71 2.56 -15.73 3 10 0 134 417.429 4 ↓
Lo Low (pH 4.5-6) 1.53 5.53 -14.27 3 10 0 131 417.429 4 ↓
Lo Low (pH 4.5-6) 1.53 5.23 -16.55 3 10 0 131 417.429 4 ↓
Lo Low (pH 4.5-6) 1.71 2.89 -15.4 3 10 0 134 417.429 4 ↓

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