In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2R)-N2-cyclopropyl-N2-isobutyl-N1-methyl-1-(p-tolyl)propane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-isobut…
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) | 3.98 | 10.31 | -104.87 | 3 | 2 | 2 | 21 | 276.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 9.17 | -35.07 | 2 | 2 | 1 | 20 | 275.46 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 9.56 | -27.54 | 2 | 2 | 1 | 16 | 275.46 | 7 | ↓ |