| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 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) | 2.63 | 7.19 | -89.68 | 3 | 3 | 2 | 24 | 289.467 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 7.67 | -31.33 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.93 | -1.8 | 1 | 3 | 0 | 19 | 287.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 8.32 | -34.76 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
