In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 17 | Yes |
Popular Name: (1R,2R)-N2-butyl-N2-methyl-1-(p-tolyl)propane-1,2-diamine (1R,2R)-N2-butyl-N2-methyl-1-(p-…
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) | 1.67 | 7.42 | -31.18 | 3 | 2 | 1 | 30 | 235.395 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 7.71 | -114.79 | 4 | 2 | 2 | 32 | 236.403 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 5.88 | -39.28 | 3 | 2 | 1 | 31 | 235.395 | 6 | ↓ |