| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 15 | 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) | 1.45 | 4.1 | -10.47 | 1 | 3 | 0 | 46 | 203.241 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 1.55 | -42.99 | 0 | 3 | -1 | 52 | 202.233 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 1.52 | -43.07 | 0 | 3 | -1 | 52 | 202.233 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
