In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 21 | Yes |
Popular Name: (3S)-3-ethyl-1-[[(2R)-4-isobutylmorpholin-2-yl]methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[(2R)-4-isobutyl…
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) | 1.66 | 7.49 | -45.66 | 1 | 5 | 0 | 57 | 298.427 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 9.5 | -96.23 | 2 | 5 | 1 | 58 | 299.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.