| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 17 | Yes |
| 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) | 1.62 | 9.31 | -105.19 | 3 | 3 | 2 | 36 | 231.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 7.97 | -30.76 | 2 | 3 | 1 | 31 | 230.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 7.5 | -7.39 | 1 | 3 | 0 | 30 | 229.327 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 8.85 | -52.76 | 2 | 3 | 1 | 34 | 230.335 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
