| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | Yes |
Popular Name: (3S)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-methylpyrimid…
| 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) | 0.32 | 6.8 | -87.5 | 2 | 5 | 1 | 72 | 222.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 6.26 | -42.66 | 0 | 5 | -1 | 69 | 220.252 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 6.37 | -39.53 | 1 | 5 | 0 | 70 | 221.26 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
