| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2009 | 28 | Yes |
Popular Name: 8-chloro-5-[(3S)-3-methylpiperazin-1-yl]-3-(p-tolyl)-[1,2,4]triazolo[4,3-c]quinazoline 8-chloro-5-[(3S)-3-methylpiperaz…
| 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) | 4.79 | 12.04 | -49.05 | 2 | 6 | 1 | 63 | 393.902 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.79 | 10.89 | -9.13 | 1 | 6 | 0 | 58 | 392.894 | 2 | ↓ |
