UCSF

ZINC04802894

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 30 No

Popular Name: 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-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 10.12 -37.01 2 6 0 80 403.482 4 ↓
Mid Mid (pH 6-8) 3.93 9.4 -15.37 1 6 0 81 403.482 4 ↓
Lo Low (pH 4.5-6) 3.75 9.63 -28.08 2 6 1 82 404.49 4 ↓
Lo Low (pH 4.5-6) 3.91 9.29 -29.22 2 6 1 82 404.49 4 ↓
Lo Low (pH 4.5-6) 3.93 9.17 -29.15 2 6 1 82 404.49 4 ↓

Activity (Go SEA)

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