UCSF

ZINC28623422

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 26 Yes

Popular Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide 2-(3,4-dihydro-2H-quinolin-1-yl)…

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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) 2.45 4.43 -16.33 2 7 0 91 352.394 3 ↓
Mid Mid (pH 6-8) 2.91 3.63 -52.87 1 7 -1 94 351.386 3 ↓

Activity (Go SEA)

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