UCSF

ZINC40447657

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 29 No

Popular Name: (4R,5Z)-5-[ethoxy(hydroxy)methylene]-2-methyl-4-(o-tolyl)-6-(4-pyridylsulfanylmethyl)-4H-pyridine-3- (4R,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) 3.50 11.59 -33.66 0 5 -1 81 404.515 6 ↓
Mid Mid (pH 6-8) 4.25 12.34 -13.85 1 5 0 75 405.523 7 ↓

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

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