In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 14 | Yes |
Popular Name: (2R)-N2-methyl-N2-(4-pyridylmethyl)butane-1,2-diamine (2R)-N2-methyl-N2-(4-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) | 0.12 | 4.05 | -131.28 | 4 | 3 | 2 | 45 | 195.31 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 1.72 | -46.3 | 3 | 3 | 1 | 44 | 194.302 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 4.05 | -34.01 | 3 | 3 | 1 | 43 | 194.302 | 5 | ↓ |