UCSF

ZINC53531310

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 No

Popular Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl]-6-methyl-pyrimidin-4-one 3-[2-[[(3S)-1,1-dioxothiolan-3-y…

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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) -0.73 2.47 -73.3 2 6 1 86 272.35 4 ↓
Mid Mid (pH 6-8) -0.73 1.33 -23.13 1 6 0 81 271.342 4 ↓

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

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