| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 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) | 2.30 | 7.69 | -37.42 | 4 | 4 | 1 | 58 | 307.849 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.54 | -4.21 | 3 | 4 | 0 | 56 | 306.841 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 7.7 | -88.62 | 5 | 4 | 2 | 59 | 308.857 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
