UCSF

ZINC58550820

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 27 Yes

Popular Name: (3S)-N,3-dimethyl-1-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]isochromane-3-carboxamide (3S)-N,3-dimethyl-1-oxo-N-[(4-ox…

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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) 1.86 7.25 -15.71 1 7 0 92 383.429 3 ↓
Hi High (pH 8-9.5) 2.31 5.12 -65.52 0 7 -1 95 382.421 3 ↓

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

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