UCSF

ZINC67740613

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 3-[[[(3R)-1-ethyl-5-oxo-pyrrolidin-3-yl]methyl-methyl-amino]methyl]-7-methylsulfanyl-1H-quinolin-2-o 3-[[[(3R)-1-ethyl-5-oxo-pyrrolid…

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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) 1.53 8.82 -57.14 2 5 1 58 360.503 6 ↓
Hi High (pH 8-9.5) 1.53 6.56 -20.48 1 5 0 56 359.495 6 ↓

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

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