| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 25 | No |
Popular Name: 3-(4-isopropylphenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]ethylamino]cyclobut-3-ene-1,2-dione 3-(4-isopropylphenyl)-4-[2-[(2S)…
| 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) | 3.30 | 9.8 | -37.61 | 1 | 4 | 0 | 51 | 341.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.66 | -6.73 | 0 | 4 | 0 | 50 | 340.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.69 | -5.75 | 0 | 4 | 0 | 50 | 340.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 9.76 | -51.06 | 1 | 4 | 0 | 51 | 341.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
