UCSF

ZINC71513780

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 26 No

Popular Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 3.15 10.94 -17.66 1 5 0 58 385.514 3 ↓
Mid Mid (pH 6-8) 3.61 9.65 -50.09 0 5 -1 61 384.506 3 ↓

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

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