UCSF

ZINC40442353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 No

Popular Name: (4S,5Z)-5-[ethoxy(hydroxy)methylene]-2-methyl-4-(2-pyridyl)-6-(4-pyridylsulfanylmethyl)-4H-pyridine- (4S,5Z)-5-[ethoxy(hydroxy)methyl…

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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) 1.93 9.52 -38.65 0 6 -1 94 391.476 6 ↓
Mid Mid (pH 6-8) 2.68 9.89 -19.33 1 6 0 88 392.484 7 ↓

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

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