| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | 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) | 3.22 | 9.78 | -106.06 | 3 | 3 | 2 | 34 | 320.449 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.55 | -35.71 | 2 | 3 | 1 | 30 | 319.441 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 7.6 | -43.3 | 2 | 3 | 1 | 33 | 319.441 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
