UCSF

ZINC19721951

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 16 Yes

Popular Name: 5,7-Dimethyl-4-hydroxyquinoline-3-carboxylicacid 5,7-Dimethyl-4-hydroxyquinoline-…

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CAS Number: 948293-86-5

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) 1.85 7.03 -66.45 1 4 -1 73 216.216 1 ↓
Mid Mid (pH 6-8) 1.85 5.84 -32.89 2 4 0 76 217.224 1 ↓
Lo Low (pH 4.5-6) 2.31 5.35 -37.33 2 4 0 74 217.224 1 ↓

Activity (Go SEA)

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