| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
Popular Name: (3S)-3-ethyl-1-(3-nitro-4-pyridyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-nitro-4-pyridy…
| 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) | 1.18 | 7.49 | -49.92 | 1 | 7 | 0 | 103 | 265.269 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.86 | 7.2 | -65.35 | 1 | 7 | 0 | 105 | 265.269 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 7.44 | -45.49 | 0 | 7 | -1 | 102 | 264.261 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
