| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | No |
Popular Name: 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(4-methylpiperazin-1-yl)-6,7-d…
| 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) | 1.66 | 7.22 | -32.21 | 3 | 4 | 1 | 47 | 277.417 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 4.88 | -11.78 | 2 | 4 | 0 | 45 | 276.409 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.66 | -84.18 | 4 | 4 | 2 | 48 | 278.425 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 5.31 | -33.12 | 3 | 4 | 1 | 47 | 277.417 | 2 | ↓ |
