UCSF

ZINC00549872

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2-methylquinolin-3-ol 2-methylquinolin-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 496926-76-2 , 613-19-4

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) 2.09 3.87 -21.92 1 2 0 37 159.188 0 ↓
Hi High (pH 8-9.5) 2.09 3.49 -43.34 0 2 -1 36 158.18 0 ↓
Hi High (pH 8-9.5) 2.09 2.73 -7.15 1 2 0 33 159.188 0 ↓
Lo Low (pH 4.5-6) 2.09 3.11 -26.48 2 2 1 34 160.196 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 260 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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