UCSF

ZINC67935409

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 3-[[[(4S)-2,2-dimethyltetrahydropyran-4-yl]-methyl-amino]methyl]-7-methoxy-1H-quinolin-2-one 3-[[[(4S)-2,2-dimethyltetrahydro…

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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) 2.11 6.51 -40.22 2 5 1 56 331.436 4 ↓
Hi High (pH 8-9.5) 2.11 4.23 -10.41 1 5 0 55 330.428 4 ↓

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

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