| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 13 | 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) | -0.25 | 0.71 | -43.59 | 3 | 3 | 1 | 44 | 178.259 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | 0.43 | -4.93 | 2 | 3 | 0 | 42 | 177.251 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | 1.65 | -102.16 | 4 | 3 | 2 | 45 | 179.267 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
