UCSF

ZINC13281932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 21 No

Popular Name: (3R,4S)-5-acetyl-2-ethylsulfanyl-6-methyl-4-(5-methyl-2-furyl)-3,4-dihydropyridine-3-carbonitrile (3R,4S)-5-acetyl-2-ethylsulfanyl…

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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) 2.38 9.05 -22.15 1 4 0 66 302.399 4 ↓
Mid Mid (pH 6-8) 2.90 7.71 -10.02 0 4 0 66 302.399 4 ↓

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

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