| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 22 | 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) | 1.94 | 7.93 | -76.12 | 2 | 7 | 0 | 77 | 340.478 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 5.71 | -51.22 | 1 | 7 | -1 | 76 | 339.47 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 7.85 | -53.21 | 3 | 7 | 1 | 80 | 341.486 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
