| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2010 | 27 | Yes |
Popular Name: 2-[(4-isopropylpiperazin-1-yl)methyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-ol 2-[(4-isopropylpiperazin-1-yl)me…
| 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) | 2.90 | 9.55 | -43.42 | 2 | 5 | 1 | 53 | 367.517 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 7.33 | -9.15 | 1 | 5 | 0 | 52 | 366.509 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 7.02 | -40.42 | 1 | 5 | 0 | 57 | 366.509 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 9.3 | -52.83 | 2 | 5 | 1 | 53 | 367.517 | 3 | ↓ |
