In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2010 | 20 | Yes |
Popular Name: 3-[(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-piperidyl]propanoic 3-[(2R)-1-[(2S)-2-(hydroxymethyl…
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) | 0.68 | 4.49 | -62.01 | 1 | 6 | -1 | 84 | 283.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 2.51 | -15.4 | 2 | 6 | 0 | 81 | 284.356 | 4 | ↓ |