In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 16 | Yes |
Popular Name: (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide (2S)-N-[[(2R)-1-ethylpyrrolidin-…
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) | 0.39 | 4.03 | -94.03 | 4 | 4 | 2 | 50 | 227.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 1.8 | -37.64 | 3 | 4 | 1 | 49 | 226.344 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 2.73 | -42.29 | 3 | 4 | 1 | 46 | 226.344 | 4 | ↓ |