| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 16 | No |
| 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 | 4.84 | -43.4 | 3 | 2 | 1 | 31 | 237.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.46 | -3.11 | 2 | 2 | 0 | 29 | 236.384 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 7 | -36.34 | 3 | 2 | 1 | 30 | 237.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 6.77 | -124.16 | 4 | 2 | 2 | 32 | 238.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
