In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(p-tolyl)propyl]-propyl-amino]ethanol 2-[[(1R,2R)-2-amino-1-(p-tolyl)p…
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) | 1.83 | 4.53 | -117.47 | 5 | 3 | 2 | 52 | 252.402 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 2.78 | -38.94 | 4 | 3 | 1 | 51 | 251.394 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 3.99 | -30.61 | 4 | 3 | 1 | 51 | 251.394 | 7 | ↓ |