In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-phenyl-propyl]-isopropyl-amino]ethanol 2-[[(1R,2R)-2-amino-1-phenyl-pro…
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) | 1.17 | 2.81 | -105.85 | 5 | 3 | 2 | 52 | 238.375 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 2.05 | -40.16 | 4 | 3 | 1 | 51 | 237.367 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 3.12 | -26.26 | 4 | 3 | 1 | 51 | 237.367 | 6 | ↓ |