| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | No |
Popular Name: (3S)-3-methyl-1-(3-nitro-4-pyridyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-nitro-4-pyrid…
| 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) | 0.85 | 6.96 | -46.35 | 0 | 7 | -1 | 102 | 250.234 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 6.97 | -51.2 | 1 | 7 | 0 | 103 | 251.242 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.20 | 6.71 | -66.49 | 1 | 7 | 0 | 105 | 251.242 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
