| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | No |
Popular Name: (3S)-1-(6-nitro-3-pyridyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(6-nitro-3-pyridyl)-3-pro…
| 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) | 2.15 | 8.98 | -61.74 | 1 | 7 | 0 | 103 | 279.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 8.34 | -46.73 | 0 | 7 | -1 | 102 | 278.288 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 8.75 | -51.32 | 1 | 7 | 0 | 103 | 279.296 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
