UCSF

ZINC67447374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 Yes

Popular Name: 3-[[[(1S)-1-(2-furyl)ethyl]-methyl-amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one 3-[[[(1S)-1-(2-furyl)ethyl]-meth…

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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) 2.52 8.83 -42.83 2 4 1 50 329.445 5 ↓
Hi High (pH 8-9.5) 2.52 6.42 -12.81 1 4 0 49 328.437 5 ↓

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

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