UCSF

ZINC49546857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 Yes

Popular Name: (4S)-4-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-[3-(4-chlorophenyl)-1H-py…

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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) 2.16 3.29 -9.79 2 6 0 79 327.775 2 ↓
Ref Reference (pH 7) 1.97 5.91 -10.78 2 6 0 76 327.775 2 ↓
Mid Mid (pH 6-8) 1.97 5.9 -11.45 2 6 0 76 327.775 2 ↓
Mid Mid (pH 6-8) 2.16 3.29 -10.3 2 6 0 79 327.775 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.