| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 16 | 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) | -0.10 | -5.63 | -113.73 | 7 | 7 | 2 | 125 | 220.236 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -5.13 | -39.75 | 4 | 7 | -1 | 125 | 217.212 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -5.72 | -31.31 | 6 | 7 | 1 | 123 | 219.228 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -4.97 | -40.38 | 5 | 7 | 0 | 126 | 218.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | -5.9 | -6.15 | 5 | 7 | 0 | 122 | 218.22 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.