In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2008 | 29 | Yes |
Popular Name: (2S)-1-(benzyl-methyl-amino)-3-[4-[(3-pyridylmethylamino)methyl]phenoxy]propan-2-ol (2S)-1-(benzyl-methyl-amino)-3-[…
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) | 2.50 | -2.08 | -100.09 | 4 | 5 | 2 | 63 | 393.531 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | -1.97 | -172.11 | 5 | 5 | 3 | 65 | 394.539 | 11 | ↓ |