In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 22 | Yes |
Popular Name: (2S)-1-benzyl-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide (2S)-1-benzyl-N-(2-pyridylmethyl…
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) | 1.47 | 7.33 | -37.41 | 2 | 4 | 1 | 46 | 296.394 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 4.92 | -9.74 | 1 | 4 | 0 | 45 | 295.386 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 7.71 | -96.61 | 3 | 4 | 2 | 48 | 297.402 | 5 | ↓ |