| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 17 | 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) | 1.18 | 5.85 | -35.75 | 2 | 4 | 1 | 42 | 238.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 3.61 | -5.12 | 1 | 4 | 0 | 41 | 237.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 6.26 | -86.5 | 3 | 4 | 2 | 44 | 239.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
