| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 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) | -1.26 | 10.18 | -36.68 | 2 | 8 | 1 | 111 | 444.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 9.94 | -25.35 | 1 | 8 | 0 | 110 | 443.488 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.26 | 10.65 | -93.93 | 3 | 8 | 2 | 113 | 445.504 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
