| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | 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) | 2.45 | 7.68 | -46.62 | 3 | 3 | 1 | 44 | 387.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 7.36 | -7.97 | 2 | 3 | 0 | 42 | 386.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 7.99 | -96.92 | 4 | 3 | 2 | 45 | 388.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
