UCSF

ZINC11731146

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 16 Yes

Popular Name: 4-Hydroxy-2-methyl-8-(trifluoromethyl)quinoline 4-Hydroxy-2-methyl-8-(trifluorom…

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CAS Number: 140908-88-9

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) 1.94 6.05 -10.6 1 2 0 33 227.185 1 ↓
Lo Low (pH 4.5-6) 3.24 1.02 -27.82 2 2 1 34 228.193 1 ↓

Activity (Go SEA)

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