In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)propane-1,2-diamine (1S,2R)-1-(4-chlorophenyl)-N1-(1…
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) | 3.54 | 6.56 | -109.12 | 4 | 3 | 2 | 41 | 314.901 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 5.44 | -42.35 | 3 | 3 | 1 | 40 | 313.893 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 6.26 | -28.69 | 3 | 3 | 1 | 40 | 313.893 | 9 | ↓ |