In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | Yes |
Popular Name: 2-[2-dimethylaminoethyl(propyl)amino]pyridine-4-carboxylic 2-[2-dimethylaminoethyl(propyl)a…
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) | 1.91 | 9.21 | -102.09 | 2 | 5 | 1 | 62 | 252.338 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 6.35 | -47.47 | 0 | 5 | -1 | 59 | 250.322 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 8.83 | -70.59 | 1 | 5 | 0 | 61 | 251.33 | 7 | ↓ |