| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 18 | 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) | -0.20 | 5.25 | -121.64 | 3 | 5 | 2 | 58 | 253.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 4.46 | -40.73 | 2 | 5 | 1 | 54 | 252.338 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 1.96 | -8.59 | 1 | 5 | 0 | 53 | 251.33 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
