In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 21 | No |
Popular Name: 7-(1,1-dioxothian-4-yl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(1,1-dioxothian-4-yl)-2,5,6-tr…
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) | 0.70 | 4.5 | -19.33 | 2 | 6 | 0 | 91 | 308.407 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.70 | 4.88 | -35.46 | 3 | 6 | 1 | 92 | 309.415 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.