In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 20 | Yes |
Popular Name: (2-chloro-4-pyridyl)-[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]methanone (2-chloro-4-pyridyl)-[(2S)-2-(4-…
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) | 1.33 | 6.31 | -13.44 | 0 | 4 | 0 | 46 | 287.75 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 6.75 | -48.92 | 1 | 4 | 1 | 47 | 288.758 | 2 | ↓ |