UCSF

ZINC25155892

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 Yes

Popular Name: 2-benzyl-5-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-3H-thieno[5,4-d]pyrimidine-6-c 2-benzyl-5-methyl-4-oxo-N-[(2R)-…

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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) 4.53 11.53 -45.52 3 6 1 79 479.651 7 ↓
Hi High (pH 8-9.5) 4.99 8.51 -43.5 1 6 -1 81 477.635 7 ↓
Hi High (pH 8-9.5) 4.53 9.56 -18.75 2 6 0 78 478.643 7 ↓

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