| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 16 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]piperidin-2-one (3S)-3-[[(1S)-1-(1-methylimidazo…
| 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) | -0.29 | 2.13 | -34.28 | 3 | 5 | 1 | 60 | 223.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 1.39 | -15.44 | 2 | 5 | 0 | 59 | 222.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 3.18 | -101.47 | 4 | 5 | 2 | 65 | 224.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.29 | 2.5 | -39.81 | 3 | 5 | 1 | 64 | 223.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
