| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2014 | 29 | 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) | 2.43 | 7 | -19.13 | 4 | 8 | 0 | 125 | 406.479 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 7.64 | -54.1 | 3 | 8 | -1 | 128 | 405.471 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 3.74 | -49.4 | 3 | 8 | -1 | 131 | 405.471 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.