| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2009 | 10 | 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) | -0.28 | 2.83 | -50.68 | 2 | 3 | 1 | 34 | 138.194 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 1.15 | -6.12 | 1 | 3 | 0 | 30 | 137.186 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 1.62 | -27.65 | 2 | 3 | 1 | 31 | 138.194 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 3.3 | -95.02 | 3 | 3 | 2 | 36 | 139.202 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
