| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 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) | 3.83 | 7.47 | -123.21 | 0 | 5 | -2 | 93 | 291.262 | 2 | ↓ |
| Ref Reference (pH 7) | 2.36 | 8.7 | -60.67 | 0 | 5 | -1 | 87 | 292.27 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 8.17 | -55.98 | 0 | 5 | -1 | 87 | 292.27 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 6.6 | -59.83 | 1 | 5 | -1 | 90 | 292.27 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 7.15 | -59.58 | 1 | 5 | -1 | 90 | 292.27 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.