UCSF

ZINC69145118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 No

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-6,7…

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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 3.88 -15.77 1 5 0 72 267.354 2 ↓
Mid Mid (pH 6-8) 0.66 4.31 -40.44 2 5 1 73 268.362 2 ↓

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

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