UCSF

ZINC36331809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 No

Popular Name: 2-[[(1,1-dioxothian-4-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(1,1-dioxothian-4-yl)amino]m…

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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) 0.66 -1.27 -66.23 2 6 0 100 313.404 3 ↓
Hi High (pH 8-9.5) 0.66 -2.45 -57.12 1 6 -1 95 312.396 3 ↓
Mid Mid (pH 6-8) 0.20 -0.37 -33.78 2 6 0 92 313.404 3 ↓
Mid Mid (pH 6-8) 0.20 1.37 -77.02 3 6 1 97 314.412 3 ↓

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

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