UCSF

ZINC08559532

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 27 No

Popular Name: 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(4H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinoline-3-carbonitril 2-amino-7,7-dimethyl-5-oxo-4-phe…

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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) 1.76 13.09 -16.95 3 7 0 112 360.421 2 ↓
Lo Low (pH 4.5-6) 1.76 12.65 -44.72 4 7 1 113 361.429 2 ↓

Activity (Go SEA)

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