In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 13 | Yes |
Popular Name: (2R)-N2-methyl-N2-(3-pyridylmethyl)propane-1,2-diamine (2R)-N2-methyl-N2-(3-pyridylmeth…
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) | -0.36 | 3.2 | -121.31 | 4 | 3 | 2 | 45 | 181.283 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 1.3 | -41.91 | 3 | 3 | 1 | 44 | 180.275 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | 1.76 | -89.67 | 4 | 3 | 2 | 45 | 181.283 | 4 | ↓ |