| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2013 | 13 | 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) | 1.77 | 5.55 | -109.37 | 4 | 2 | 2 | 32 | 186.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 5.26 | -30.27 | 3 | 2 | 1 | 30 | 185.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 3.71 | -40.11 | 3 | 2 | 1 | 31 | 185.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.