| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 16 | 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) | -0.60 | 3.81 | -116.93 | 4 | 5 | 2 | 61 | 223.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.60 | 1.22 | -8.51 | 2 | 5 | 0 | 58 | 221.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 3.43 | -42.48 | 3 | 5 | 1 | 59 | 222.316 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 1.59 | -51.35 | 3 | 5 | 1 | 60 | 222.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
