| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | 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) | -0.03 | -0.69 | -7.81 | 4 | 5 | 0 | 91 | 201.233 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | -0.22 | -33.13 | 5 | 5 | 1 | 92 | 202.241 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | -0.37 | -49.24 | 5 | 5 | 1 | 92 | 202.241 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | 0.1 | -103.52 | 6 | 5 | 2 | 94 | 203.249 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
