| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 20 | Yes |
Popular Name: 3-[5-[[2-dimethylaminoethyl(isobutyl)amino]methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[[2-dimethylaminoethyl(isob…
| 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) | 2.29 | 6.8 | -42.63 | 2 | 3 | 1 | 28 | 295.472 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.13 | -6.72 | 1 | 3 | 0 | 27 | 294.464 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 8.43 | -112.31 | 3 | 3 | 2 | 29 | 296.48 | 7 | ↓ |
