| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 27 | 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) | 4.02 | 8.42 | -50.09 | 1 | 3 | -1 | 60 | 383.43 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 6.98 | -8.67 | 1 | 3 | 0 | 54 | 384.438 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 8.42 | -50.09 | 1 | 3 | -1 | 60 | 383.43 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.33 | -10.38 | 1 | 3 | 0 | 54 | 384.438 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.