| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 26 | Yes |
Popular Name: (4S)-3-methyl-4-phenyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-3-methyl-4-phenyl-1-(9H-pur…
None
| 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) | 1.43 | 7.25 | -20.39 | 2 | 8 | 0 | 105 | 345.366 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 6.75 | -53.13 | 1 | 8 | -1 | 103 | 344.358 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 9.5 | -48.34 | 1 | 8 | -1 | 100 | 344.358 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 9.98 | -19.14 | 2 | 8 | 0 | 101 | 345.366 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 7.23 | -19.15 | 2 | 8 | 0 | 105 | 345.366 | 2 | ↓ |
