UCSF

ZINC08442000

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydro-3-pyridinecarboxylate ethyl 5-cyano-6-[(3,3-dimethyl-2…

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Other Names:

MFCD02070314

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Annotations

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Vendors

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) 4.69 4.05 -17.32 0 7 0 105 456.564 10 ↓
Mid Mid (pH 6-8) 5.25 2.47 -13.29 0 7 0 105 456.564 10 ↓
Mid Mid (pH 6-8) 5.07 3.24 -13.6 0 7 0 105 456.564 10 ↓

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

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