| 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 | 8.04 | -99.44 | 3 | 3 | 2 | 24 | 289.467 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 6.68 | -32.47 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.2 | -2.07 | 1 | 3 | 0 | 19 | 287.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 7.6 | -37.02 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
