| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | 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) | 3.02 | 8.27 | -70.65 | 2 | 6 | 0 | 82 | 286.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 8.18 | -54.31 | 1 | 6 | -1 | 81 | 285.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.39 | -66.11 | 3 | 6 | 0 | 84 | 287.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
