| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 14 | 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) | 1.72 | 6.52 | -107.51 | 3 | 2 | 2 | 21 | 198.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 4.07 | -35.93 | 2 | 2 | 1 | 20 | 197.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.91 | -0.64 | 1 | 2 | 0 | 15 | 196.338 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.26 | -32.03 | 2 | 2 | 1 | 16 | 197.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
