UCSF

ZINC04167176

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 19 No

Popular Name: 2-{[(2-chloro-3-pyridinyl)amino]methylene}-5,5-dimethyl-1,3-cyclohexanedione 2-{[(2-chloro-3-pyridinyl)amino]…

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Other Names:

MFCD02956399

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) 2.46 6.22 -40.11 0 4 -1 65 277.731 2 ↓
Lo Low (pH 4.5-6) 1.54 5.23 -51.28 2 4 1 62 279.747 2 ↓
Lo Low (pH 4.5-6) 2.46 4.71 -19.8 1 4 0 63 278.739 2 ↓

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

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