UCSF

ZINC05433001

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 No

Popular Name: 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-N-(2-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxamide 4-(3-methoxyphenyl)-2,7-dimethyl…

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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) 3.79 10 -35.14 2 6 0 80 403.482 4 ↓
Mid Mid (pH 6-8) 3.91 9.4 -17.85 1 6 0 81 403.482 4 ↓
Mid Mid (pH 6-8) 3.75 8.94 -22.26 1 6 0 81 403.482 4 ↓
Lo Low (pH 4.5-6) 3.75 8.71 -40.77 2 6 1 82 404.49 4 ↓
Lo Low (pH 4.5-6) 3.91 9.18 -37.56 2 6 1 82 404.49 4 ↓

Activity (Go SEA)

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