| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 18 | Yes |
Popular Name: 2-[(3-hydroxypropylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(3-hydroxypropylamino)methyl]…
| 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) | 0.65 | 1.86 | -59.83 | 4 | 5 | 1 | 83 | 268.362 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 0.8 | -48.65 | 3 | 5 | 0 | 86 | 267.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 0.42 | -15.8 | 3 | 5 | 0 | 78 | 267.354 | 5 | ↓ |
