| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | Yes |
Popular Name: 3-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[[(1R)-1-benzyl-2-hydroxy-ethy…
| 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) | -2.17 | -1.02 | -29.15 | 3 | 6 | 1 | 79 | 330.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.17 | -0.25 | -14.85 | 2 | 6 | 0 | 82 | 329.4 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.17 | 1.34 | -95.97 | 4 | 6 | 2 | 80 | 331.416 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
