In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N1-[(1S)-1,3-dimethylbutyl]-N1-methyl-1-(p-tolyl)propane-1,2-diamine (1R,2R)-N1-[(1S)-1,3-dimethylbut…
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) | 3.56 | 8.16 | -122.43 | 4 | 2 | 2 | 32 | 264.457 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 8.14 | -29.81 | 3 | 2 | 1 | 30 | 263.449 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 7.35 | -40.46 | 3 | 2 | 1 | 31 | 263.449 | 6 | ↓ |