| 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) | 2.69 | 8.97 | -79.99 | 3 | 4 | 2 | 37 | 310.511 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 7.63 | -37.2 | 2 | 4 | 1 | 33 | 309.503 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.26 | -5.52 | 1 | 4 | 0 | 31 | 308.495 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 9.3 | -163.27 | 4 | 4 | 3 | 38 | 311.519 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
