| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2010 | 28 | Yes |
Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-ol 2-[(4-isobutylpiperazin-1-yl)met…
| 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) | 3.34 | 10.46 | -45.27 | 2 | 5 | 1 | 53 | 381.544 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 8.5 | -8.9 | 1 | 5 | 0 | 52 | 380.536 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 8.23 | -40.68 | 1 | 5 | 0 | 57 | 380.536 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 10.46 | -53.19 | 2 | 5 | 1 | 53 | 381.544 | 4 | ↓ |
