| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 28 | Yes |
| 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) | 3.63 | 8.41 | -56.72 | 2 | 5 | 1 | 49 | 390.592 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.8 | -11.63 | 1 | 5 | 0 | 45 | 389.584 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.63 | 10.68 | -140.11 | 3 | 5 | 2 | 51 | 391.6 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
