UCSF

ZINC69144494

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 No

Popular Name: 2-[[[(3R)-1,1-dioxothian-3-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(3R)-1,1-dioxothian-3-yl]am…

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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) 0.64 3.5 -63.03 2 6 1 85 308.383 3 ↓
Mid Mid (pH 6-8) 0.64 2.28 -21.07 1 6 0 81 307.375 3 ↓
Mid Mid (pH 6-8) 0.64 2.68 -47.86 2 6 1 82 308.383 3 ↓

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

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