| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2012 | 31 | 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 | 3.5 | -108.79 | 4 | 10 | -1 | 156 | 503.962 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 1.43 | -140.91 | 3 | 10 | -2 | 154 | 502.954 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 2.38 | -48.91 | 5 | 10 | 0 | 153 | 504.97 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.