UCSF

ZINC55413694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 28 Yes

Popular Name: N-[(3R)-1-[[2-(4-butyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-N-methyl-acetamide N-[(3R)-1-[[2-(4-butyl-6-oxo-1H-…

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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) 2.92 11.17 -47.9 2 6 1 70 383.516 7 ↓
Hi High (pH 8-9.5) 2.92 9.15 -14.2 1 6 0 69 382.508 7 ↓

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

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