UCSF

ZINC04167551

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 31 No

Popular Name: 5-cyano-6-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide 5-cyano-6-{[2-(cyclopropylamino)…

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Other Names:

MFCD03234629

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) 3.15 9.5 -22.18 3 6 0 94 450.589 7 ↓
Mid Mid (pH 6-8) 3.67 -4.49 -15.6 2 6 0 94 450.589 7 ↓
Mid Mid (pH 6-8) 3.67 -2.62 -24.23 2 6 0 94 450.589 7 ↓
Mid Mid (pH 6-8) 3.49 -4.01 -13.8 2 6 0 94 450.589 7 ↓

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