| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 26 | Yes |
| 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) | 3.53 | 10.55 | -33.41 | 2 | 5 | 1 | 57 | 358.506 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 10.17 | -11.84 | 1 | 5 | 0 | 56 | 357.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 10.94 | -41.55 | 2 | 5 | 1 | 61 | 358.506 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 11.72 | -111.59 | 3 | 5 | 2 | 62 | 359.514 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
