| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 11 | 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) | 0.07 | 4.32 | -100.21 | 3 | 3 | 2 | 36 | 153.229 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 2.63 | -28.55 | 2 | 3 | 1 | 31 | 152.221 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 2.17 | -6.2 | 1 | 3 | 0 | 30 | 151.213 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 3.86 | -49.76 | 2 | 3 | 1 | 34 | 152.221 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
