UCSF

ZINC52877790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 27 Yes

Popular Name: N-[(2R)-2-(diethylamino)-2-(3-thienyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(2R)-2-(diethylamino)-2-(3-th…

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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) 1.31 2.48 -63.73 3 8 0 115 387.465 7 ↓
Hi High (pH 8-9.5) 1.31 0.06 -39.8 2 8 -1 114 386.457 7 ↓
Lo Low (pH 4.5-6) 0.86 4.43 -52.07 4 8 1 112 388.473 7 ↓

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

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