| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2010 | 38 | No |
| 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) | 4.50 | 11.89 | -48.85 | 3 | 7 | 1 | 78 | 544.623 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 11.77 | -51.29 | 3 | 7 | 1 | 78 | 544.623 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 9.52 | -12.64 | 2 | 7 | 0 | 77 | 543.615 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 12.37 | -91.69 | 4 | 7 | 2 | 79 | 545.631 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.