UCSF

ZINC56861391

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 26 Yes

Popular Name: N-[[(3S)-3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]benzamide N-[[(3S)-3-amino-1-(5-methyl-7H-…

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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) 1.57 6.74 -67.86 5 7 1 102 351.434 4 ↓
Hi High (pH 8-9.5) 1.57 6.48 -14.67 4 7 0 100 350.426 4 ↓
Lo Low (pH 4.5-6) 1.57 7.21 -107.49 6 7 2 103 352.442 4 ↓

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

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