| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | 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) | 1.13 | 6.8 | -50.62 | 2 | 4 | 0 | 70 | 242.278 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 5.35 | -49.15 | 1 | 4 | -1 | 65 | 241.27 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 6.34 | -74.08 | 3 | 4 | 1 | 71 | 243.286 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
