| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 25 | 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) | -1.93 | -3.13 | -58.77 | 4 | 9 | -1 | 164 | 349.271 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.93 | -2.16 | -130.08 | 3 | 9 | -2 | 167 | 348.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.93 | -2.22 | -112.8 | 3 | 9 | -2 | 167 | 348.263 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.93 | -3.99 | -14.55 | 5 | 9 | 0 | 162 | 350.279 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
