| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 27 | Yes |
Popular Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole 4-(4-benzylpiperazin-4-ium-1-yl)…
| 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) | 3.80 | 12.11 | -44.1 | 2 | 5 | 1 | 49 | 358.469 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 9.88 | -7.76 | 1 | 5 | 0 | 48 | 357.461 | 3 | ↓ |
