UCSF

ZINC67947395

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 Yes

Popular Name: 6-methoxy-3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-1H-quinolin-2-one 6-methoxy-3-[[methyl-[(3-methylo…

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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) 1.38 5.15 -42.04 2 5 1 56 303.382 5 ↓
Mid Mid (pH 6-8) 1.38 3.21 -9.98 1 5 0 55 302.374 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.