UCSF

ZINC19853526

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 No

Popular Name: ethyl 5-cyano-2-methyl-6-({2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl}sulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate ethyl 5-cyano-2-methyl-6-({2-[(5…

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Other Names:

MFCD05995627

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) 2.75 10.14 -24.19 2 8 0 117 444.538 8 ↓

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