UCSF

ZINC08429885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 No

Popular Name: methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate methyl 5-cyano-6-{[2-(cyclohexyl…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03723923

Download: MOL2 SDF SMILES Flexibase

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) 4.57 -1.06 -14.69 1 7 0 100 469.607 9 ↓
Mid Mid (pH 6-8) 4.19 -0.35 -19.61 1 7 0 100 469.607 9 ↓

Activity (Go SEA)

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

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