| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | No |
Popular Name: 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide 2-(4-methylpiperazin-1-yl)-5,6,7…
| 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) | 2.18 | 7.83 | -31.94 | 3 | 4 | 1 | 47 | 291.444 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 8.25 | -85.22 | 4 | 4 | 2 | 48 | 292.452 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.9 | -33.23 | 3 | 4 | 1 | 47 | 291.444 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.48 | -11.28 | 2 | 4 | 0 | 45 | 290.436 | 2 | ↓ |
