| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 15 | 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) | -1.18 | 1.19 | -41.8 | 2 | 7 | -1 | 115 | 224.225 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.18 | 1.17 | -38.36 | 3 | 7 | 0 | 117 | 225.233 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.05 | 1.22 | -40.97 | 2 | 7 | -1 | 117 | 224.225 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
