| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | -1.29 | 2.97 | -142.87 | 3 | 7 | 0 | 71 | 339.484 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.29 | 0.54 | -58.55 | 2 | 7 | 0 | 69 | 338.476 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.29 | 0.58 | -56.46 | 2 | 7 | 0 | 69 | 338.476 | 9 | ↓ |
| Mid Mid (pH 6-8) | -1.29 | 2.91 | -175.28 | 3 | 7 | 0 | 71 | 339.484 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
