| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 15 | Yes |
Popular Name: (3S,4R)-4-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic (3S,4R)-4-methyl-4-(3-pyridyl)py…
| 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) | 0.56 | 4.09 | -48.69 | 2 | 4 | 0 | 70 | 206.245 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 2.63 | -48.12 | 1 | 4 | -1 | 65 | 205.237 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 4.55 | -87.17 | 3 | 4 | 1 | 71 | 207.253 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
