In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 21 | Yes |
Popular Name: 2-[[4-(aminomethyl)-1-piperidyl]methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one 2-[[4-(aminomethyl)-1-piperidyl]…
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) | 0.83 | 5.82 | -118.92 | 5 | 5 | 2 | 78 | 308.451 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.33 | -98.69 | 4 | 5 | 1 | 81 | 307.443 | 3 | ↓ |