| 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) | 1.84 | 8.23 | -53.8 | 2 | 3 | 1 | 34 | 230.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 7.23 | -28.63 | 2 | 3 | 1 | 31 | 230.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.87 | -6.95 | 1 | 3 | 0 | 30 | 229.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 8.59 | -102.52 | 3 | 3 | 2 | 36 | 231.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
