UCSF

ZINC08714056

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 14 Yes

Popular Name: 2,7,8-Trimethyl-4-quinolinol 2,7,8-Trimethyl-4-quinolinol

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CAS Number: 449199-19-3

Other Names:

MFCD02968777

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) 1.90 6.31 -16.79 1 2 0 33 187.242 0 ↓
Lo Low (pH 4.5-6) 3.20 -0.53 -26.46 2 2 1 34 188.25 0 ↓

Activity (Go SEA)

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