UCSF

ZINC39267521

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 Yes

Popular Name: (2S)-1-[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-N-[2-(2-pyridyl)ethyl]pyrrolidine-2-carboxamide (2S)-1-[2-amino-6-(3-methoxyanil…

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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) 2.54 9 -21.15 4 9 0 118 433.516 8 ↓
Mid Mid (pH 6-8) 2.54 9.65 -33.48 5 9 1 120 434.524 8 ↓
Mid Mid (pH 6-8) 2.54 8.64 -33.27 5 9 1 120 434.524 8 ↓
Lo Low (pH 4.5-6) 2.54 10 -78.22 6 9 2 121 435.532 8 ↓
Lo Low (pH 4.5-6) 2.54 8.99 -76.79 6 9 2 121 435.532 8 ↓

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