| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 61 | 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) | 6.21 | 22.14 | -60.14 | 6 | 10 | 1 | 166 | 835.167 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 22.51 | -122.19 | 7 | 10 | 2 | 170 | 836.175 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 21.37 | -59.01 | 6 | 10 | 1 | 166 | 835.167 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 23.81 | -175.56 | 8 | 10 | 3 | 172 | 837.183 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 22.73 | -100.45 | 7 | 10 | 2 | 167 | 836.175 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 23.31 | -124.71 | 7 | 10 | 2 | 170 | 836.175 | 15 | ↓ |
No pre-computed analogs available. Try a structural similarity search.