UCSF

ZINC05442967

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 28 No

Popular Name: 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-7,7-dimethyl-4-(4-methyl…

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Other Names:

MFCD03235740

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) 2.21 13.81 -17.44 3 7 0 112 374.448 2 ↓
Ref Reference (pH 7) 2.21 13.55 -13.79 3 7 0 112 374.448 2 ↓
Lo Low (pH 4.5-6) 2.21 11.05 -46.38 4 7 1 113 375.456 2 ↓

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

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