| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | No |
Popular Name: 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide 2-(4-ethylpiperazin-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) | 2.55 | 8.5 | -30.56 | 3 | 4 | 1 | 47 | 305.471 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 6.26 | -11.09 | 2 | 4 | 0 | 45 | 304.463 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 8.91 | -85.12 | 4 | 4 | 2 | 48 | 306.479 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.7 | -33.03 | 3 | 4 | 1 | 47 | 305.471 | 3 | ↓ |
