In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 18 | Yes |
Popular Name: N2-methyl-2-propyl-N2-(2-pyridylmethyl)pentane-1,2-diamine N2-methyl-2-propyl-N2-(2-pyridyl…
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) | 2.31 | 5.02 | -44.16 | 3 | 3 | 1 | 44 | 250.41 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 5.17 | -98.82 | 4 | 3 | 2 | 45 | 251.418 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 6.63 | -27.87 | 3 | 3 | 1 | 43 | 250.41 | 8 | ↓ |