In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 17 | Yes |
Popular Name: 6-[2-[isopropyl(methyl)amino]ethylamino]pyridine-3-carboxylic 6-[2-[isopropyl(methyl)amino]eth…
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) | 1.18 | 6.7 | -93.61 | 3 | 5 | 1 | 71 | 238.311 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 3.72 | -46.66 | 1 | 5 | -1 | 68 | 236.295 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 6.22 | -73.2 | 2 | 5 | 0 | 69 | 237.303 | 6 | ↓ |