| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-3-methyl-1-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]butan-1-one (2S)-2-amino-3-methyl-1-[(2R)-2-…
| 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) | 0.40 | 4.51 | -42.7 | 3 | 4 | 1 | 61 | 248.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 4.21 | -8.59 | 2 | 4 | 0 | 59 | 247.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 5.1 | -89.24 | 4 | 4 | 2 | 62 | 249.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
