| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-methylimidazol-2-yl)m…
| 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) | 0.79 | 8.31 | -92.75 | 2 | 5 | 1 | 64 | 252.338 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 5.77 | -56.13 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 5.68 | -48.94 | 0 | 5 | -1 | 61 | 250.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 8.19 | -41.52 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
