| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 21 | Yes |
Popular Name: 3-[5-[[4-(2-dimethylaminoethyl)piperazin-1-yl]methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[[4-(2-dimethylaminoethyl)p…
| 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) | 1.06 | 3.48 | -40.05 | 2 | 4 | 1 | 31 | 308.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1 | -7.34 | 1 | 4 | 0 | 30 | 307.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 5.75 | -94.1 | 3 | 4 | 2 | 32 | 309.479 | 5 | ↓ |
