In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-fluorophenyl)-N1-(2-methoxyethyl)-N1-[(1R)-1-methylpropyl]propane-1,2-diamine (1S,2R)-1-(4-fluorophenyl)-N1-(2…
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) | 2.49 | 5.34 | -109.88 | 4 | 3 | 2 | 41 | 284.419 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 4.53 | -43.08 | 3 | 3 | 1 | 40 | 283.411 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 5.02 | -29.04 | 3 | 3 | 1 | 40 | 283.411 | 8 | ↓ |