| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2012 | 22 | 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) | -2.52 | -7.94 | -12.06 | 3 | 8 | 0 | 105 | 308.338 | 7 | ↓ |
| Mid Mid (pH 6-8) | -2.52 | -8.21 | -15.4 | 3 | 8 | 0 | 105 | 308.338 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -2.52 | -4.59 | -38.66 | 4 | 8 | 0 | 109 | 309.346 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -2.52 | -4.82 | -47.32 | 4 | 8 | 0 | 109 | 309.346 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.