| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 14 | Yes |
Popular Name: (1S,2R)-2-[2-hydroxyethyl(propyl)amino]cyclopentanecarbonitrile (1S,2R)-2-[2-hydroxyethyl(propyl…
| 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) | 1.64 | 4.11 | -36.02 | 2 | 3 | 1 | 48 | 197.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 2.4 | -8.33 | 1 | 3 | 0 | 47 | 196.294 | 5 | ↓ |
