UCSF

ZINC06814863

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2006 26 No

Popular Name: 2-amino-5-oxo-4-(p-tolyl)-1-(2H-1,2,4-triazol-3-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-amino-5-oxo-4-(p-tolyl)-1-(2H-…

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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) 1.56 12.88 -18.11 3 7 0 112 346.394 2 ↓
Mid Mid (pH 6-8) 1.56 12.64 -31.8 2 7 -1 110 345.386 2 ↓
Lo Low (pH 4.5-6) 1.56 12.56 -57.57 4 7 1 113 347.402 2 ↓

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