| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 21 | 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) | 1.94 | 7.06 | -24.21 | 2 | 8 | 0 | 116 | 283.247 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 7.48 | -52.42 | 3 | 8 | 1 | 118 | 284.255 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 4.72 | -44.98 | 1 | 8 | -1 | 120 | 282.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 5.15 | -61.81 | 2 | 8 | 0 | 121 | 283.247 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
