UCSF

ZINC37300615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

Popular Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-3H-quinazolin-4-one 2-[[[(3S)-1,1-dioxothiolan-3-yl]…

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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) 0.17 0.58 -21.23 2 6 0 92 293.348 3 ↓
Mid Mid (pH 6-8) 0.17 1.74 -75.27 3 6 1 97 294.356 3 ↓
Mid Mid (pH 6-8) 0.63 -0.83 -63.02 2 6 0 100 293.348 3 ↓

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

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