UCSF

ZINC12848564

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 28 Yes

Popular Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanam N-[[2-(dimethylaminomethyl)pheny…

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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) 1.94 10.89 -51.21 2 6 1 68 399.54 7 ↓
Hi High (pH 8-9.5) 2.13 6.34 -12.94 1 6 0 71 398.532 7 ↓
Hi High (pH 8-9.5) 1.94 8.79 -15.95 1 6 0 67 398.532 7 ↓

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