| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 32 | 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) | 3.03 | 10.5 | -70.99 | 1 | 7 | 0 | 87 | 438.524 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 8.3 | -58.78 | 0 | 7 | -1 | 86 | 437.516 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 9.68 | -50.97 | 2 | 7 | 1 | 84 | 439.532 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
