In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 3-allyl-2-(2-aminoethylamino)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one 3-allyl-2-(2-aminoethylamino)-5-…
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) | 1.95 | 7.39 | -64.39 | 4 | 5 | 1 | 75 | 333.462 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 7.01 | -13.36 | 3 | 5 | 0 | 73 | 332.454 | 6 | ↓ |