UCSF

ZINC69564927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

Popular Name: N-(3-cyano-2-thienyl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide N-(3-cyano-2-thienyl)-3-(6,8-dih…

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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) 0.62 6.91 -53.92 2 6 1 83 314.394 4 ↓
Mid Mid (pH 6-8) 0.62 4.65 -11.12 1 6 0 82 313.386 4 ↓

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

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