In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | Yes |
Popular Name: [2-[2-dimethylaminoethyl(isobutyl)amino]-4,6-dimethyl-3-pyridyl]methanol [2-[2-dimethylaminoethyl(isobuty…
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) | 2.40 | 7.17 | -40.07 | 2 | 4 | 1 | 41 | 280.436 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 4.74 | -6.39 | 1 | 4 | 0 | 40 | 279.428 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 7.89 | -84.48 | 3 | 4 | 2 | 42 | 281.444 | 7 | ↓ |