In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(p-tolyl)propyl]-cyclopropyl-amino]ethanol 2-[[(1S,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) | 1.31 | 4.05 | -106.07 | 5 | 3 | 2 | 52 | 250.386 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 1.66 | -42.72 | 4 | 3 | 1 | 51 | 249.378 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 3.73 | -30.11 | 4 | 3 | 1 | 51 | 249.378 | 6 | ↓ |