| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2012 | 9 | 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) | -0.94 | 2.08 | -43.55 | 3 | 2 | 1 | 31 | 145.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.94 | 1.73 | -8.57 | 2 | 2 | 0 | 29 | 144.243 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.