| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 23 | Yes |
Popular Name: 2-[[[(1S)-1-(hydroxymethyl)propyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1S)-1-(hydroxymethyl)propy…
| 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) | 2.37 | 4.86 | -53.32 | 4 | 5 | 1 | 83 | 330.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 3.8 | -42.1 | 3 | 5 | 0 | 86 | 329.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 3.29 | -21.25 | 3 | 5 | 0 | 78 | 329.425 | 6 | ↓ |
