In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2008 | 24 | Yes |
Popular Name: 1-[4-[(2-hydroxyethyl-(3-pyridylmethyl)amino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(2-hydroxyethyl-(3-pyridyl…
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) | 0.63 | 6.89 | -45.77 | 2 | 5 | 1 | 58 | 326.42 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 4.57 | -14.97 | 1 | 5 | 0 | 57 | 325.412 | 7 | ↓ |