UCSF

ZINC52536732

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 25 Yes

Popular Name: 1-tert-butyl-6-isopropyl-3-methyl-N-(4H-1,2,4-triazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide 1-tert-butyl-6-isopropyl-3-methy…

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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) 2.29 9.62 -16.13 2 8 0 101 341.419 4 ↓
Mid Mid (pH 6-8) 2.36 7.92 -43.67 1 8 -1 108 340.411 4 ↓
Mid Mid (pH 6-8) 2.29 9.44 -45.47 1 8 -1 100 340.411 4 ↓

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