| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 5th, 2014 | 33 | 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) | -5.38 | -21.27 | -122.27 | 16 | 15 | 2 | 280 | 487.503 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.38 | -21.7 | -41.88 | 15 | 15 | 1 | 278 | 486.495 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -5.38 | -20.47 | -217.43 | 17 | 15 | 3 | 282 | 488.511 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.