| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: (3S)-1-(2-carbamoyl-4-pyridyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2-carbamoyl-4-pyridyl)-3…
| 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) | 0.35 | 3.32 | -48.24 | 3 | 6 | 0 | 101 | 263.297 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 2.75 | -45.47 | 2 | 6 | -1 | 99 | 262.289 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.69 | 3.3 | -52.83 | 3 | 6 | 0 | 102 | 263.297 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 3.23 | -58.25 | 3 | 6 | 0 | 101 | 263.297 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
