| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | 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) | 1.60 | 1.11 | -33.22 | 1 | 5 | 1 | 57 | 210.305 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | -1.28 | -1.98 | 0 | 5 | 0 | 56 | 209.297 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 3.58 | -109.55 | 2 | 5 | 2 | 59 | 211.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
