| 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) | 1.55 | 5.92 | -46.15 | 3 | 4 | 1 | 53 | 310.487 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 5.59 | -5.62 | 2 | 4 | 0 | 51 | 309.479 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 5.98 | -23.97 | 3 | 4 | 1 | 53 | 310.487 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 6.31 | -98.94 | 4 | 4 | 2 | 54 | 311.495 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
