In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1R)-N,N'-dimethyl-1-(o-tolyl)-N'-(2-pyridylmethyl)ethane-1,2-diamine (1R)-N,N'-dimethyl-1-(o-tolyl)-N…
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) | 2.34 | 7.42 | -43.58 | 2 | 3 | 1 | 33 | 270.4 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 6.32 | -4.96 | 1 | 3 | 0 | 28 | 269.392 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 8.31 | -116.09 | 3 | 3 | 2 | 34 | 271.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 8.13 | -87.94 | 3 | 3 | 2 | 34 | 271.408 | 6 | ↓ |