| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | No |
Popular Name: 2-(4-ethylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(4-ethylpiperazin-1-yl)-6,7-di…
| 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) | 2.04 | 7.89 | -30.89 | 3 | 4 | 1 | 47 | 291.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.67 | -11.55 | 2 | 4 | 0 | 45 | 290.436 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 8.32 | -84.12 | 4 | 4 | 2 | 48 | 292.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 6.11 | -32.86 | 3 | 4 | 1 | 47 | 291.444 | 3 | ↓ |
