In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 19 | Yes |
Popular Name: 3-[5-[[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[[(2R)-2-(2-hydroxyethyl)-1…
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) | 1.67 | 3.98 | -38.95 | 3 | 3 | 1 | 45 | 280.413 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 1.83 | -8.7 | 2 | 3 | 0 | 44 | 279.405 | 4 | ↓ |