| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 17 | Yes |
Popular Name: 3-[5-[(4-methylpiperazin-1-yl)methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[(4-methylpiperazin-1-yl)me…
| 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) | 1.03 | 3.78 | -39.18 | 2 | 3 | 1 | 28 | 251.375 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 3.68 | -38.61 | 2 | 3 | 1 | 28 | 251.375 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.43 | -7.37 | 1 | 3 | 0 | 27 | 250.367 | 2 | ↓ |
