UCSF

ZINC04457519

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 24 No

Popular Name: methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-3',4-bipyridine-3-carboxylate methyl 6-[(2-amino-2-oxoethyl)su…

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Other Names:

MFCD03697555

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.29 -2.45 -17.26 2 7 0 118 344.396 6 ↓
Lo Low (pH 4.5-6) 0.85 -2.91 -15.49 2 7 0 118 344.396 6 ↓

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