UCSF

ZINC32910450

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 28 Yes

Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ac N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 2.48 7.5 -24.8 2 8 0 116 394.46 6 ↓
Hi High (pH 8-9.5) 2.94 6.38 -57.36 1 8 -1 120 393.452 6 ↓

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