UCSF

ZINC40447630

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Substance Information

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

Popular Name: (4S,5Z)-4-(2-chlorophenyl)-5-[ethoxy(hydroxy)methylene]-2-methyl-6-(phenylsulfanylmethyl)-4H-pyridin (4S,5Z)-4-(2-chlorophenyl)-5-[et…

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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) 5.02 13.26 -35.13 0 4 -1 68 423.945 6 ↓
Mid Mid (pH 6-8) 5.77 14.05 -16.49 1 4 0 62 424.953 7 ↓

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

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