| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 27 | 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) | 5.33 | 12.91 | -11.07 | 0 | 4 | 0 | 49 | 381.545 | 7 | ↓ |
| Ref Reference (pH 7) | 5.33 | 11.7 | -9.93 | 0 | 4 | 0 | 49 | 381.545 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.33 | 12.99 | -49.26 | 1 | 4 | 0 | 50 | 382.553 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.33 | 11.79 | -46.12 | 1 | 4 | 0 | 50 | 382.553 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
