In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-N'-ethyl-N'-(5-fluoro-2-pyridyl)-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-(5-fluoro-2-pyr…
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) | 1.40 | 5.15 | -45.18 | 3 | 3 | 1 | 44 | 212.292 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 4.89 | -91.54 | 4 | 3 | 2 | 45 | 213.3 | 5 | ↓ |