UCSF

ZINC62934561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: (3S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylpyrazolo[3,4-d]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) 1.20 9.05 -36.59 1 7 0 88 289.339 4 ↓
Mid Mid (pH 6-8) 1.20 8.19 -44.93 0 7 -1 87 288.331 4 ↓

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

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