In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: (1S)-N'-methyl-1-phenyl-N'-[(1R)-1,2,2-trimethylpropyl]propane-1,3-diamine (1S)-N'-methyl-1-phenyl-N'-[(1R)…
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) | 1.76 | 7.39 | -115.35 | 4 | 2 | 2 | 32 | 250.43 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 7.09 | -31.57 | 3 | 2 | 1 | 30 | 249.422 | 6 | ↓ |