| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2014 | 31 | 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) | 2.75 | 6.87 | -49.13 | 1 | 8 | -1 | 96 | 416.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 7.13 | -21.07 | 2 | 8 | 0 | 94 | 417.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 7.42 | -46.96 | 3 | 8 | 1 | 95 | 418.456 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.