UCSF

ZINC65552675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 23 Yes

Popular Name: 2-[[methyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[methyl-[3-(2-oxopyrrolidin-1…

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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) 0.92 5.41 -27.1 1 6 0 69 314.389 6 ↓
Mid Mid (pH 6-8) 1.38 5.32 -52.21 1 6 0 74 314.389 6 ↓
Mid Mid (pH 6-8) 0.92 7.97 -55.1 2 6 1 70 315.397 6 ↓

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

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