In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(4-chlorophenyl)propyl]-isopropyl-amino]ethanol 2-[[(1S,2R)-2-amino-1-(4-chlorop…
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) | 1.85 | 3.61 | -112.84 | 5 | 3 | 2 | 52 | 272.82 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 1.7 | -44.28 | 4 | 3 | 1 | 51 | 271.812 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 3.31 | -32.9 | 4 | 3 | 1 | 51 | 271.812 | 6 | ↓ |