| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
Popular Name: (3S)-3-ethyl-1-(6-nitro-3-pyridyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(6-nitro-3-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) | 1.60 | 8.21 | -61.72 | 1 | 7 | 0 | 103 | 265.269 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 7.98 | -51.25 | 1 | 7 | 0 | 103 | 265.269 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 7.57 | -46.5 | 0 | 7 | -1 | 102 | 264.261 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
