In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 30 | Yes |
Popular Name: (2S)-1-(benzyl-methyl-amino)-3-[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenoxy]propan-2-ol (2S)-1-(benzyl-methyl-amino)-3-[…
None
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) | 3.04 | 10.08 | -83.96 | 4 | 5 | 2 | 50 | 413.606 | 13 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 7.73 | -39.04 | 3 | 5 | 1 | 49 | 412.598 | 13 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 9.01 | -90.99 | 4 | 5 | 2 | 54 | 413.606 | 13 | ↓ |