| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 36 | 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) | 3.01 | 10.54 | -141.98 | 2 | 8 | -1 | 115 | 509.519 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 8.49 | -154.51 | 1 | 8 | -2 | 114 | 508.511 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 9.4 | -61.97 | 3 | 8 | 0 | 112 | 510.527 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
