| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 23 | No |
Popular Name: 3-[2-[(2S)-2-methyl-1-piperidyl]ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[2-[(2S)-2-methyl-1-piperidyl]…
| 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) | 2.23 | 8.57 | -38.12 | 1 | 4 | 0 | 51 | 313.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 6.47 | -6.05 | 0 | 4 | 0 | 50 | 312.413 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 6.45 | -6.96 | 0 | 4 | 0 | 50 | 312.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.55 | -51.13 | 1 | 4 | 0 | 51 | 313.421 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
