| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 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) | 2.17 | 4.54 | -9.29 | 1 | 4 | 0 | 51 | 203.245 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 4.65 | -24.08 | 2 | 4 | 1 | 52 | 204.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 4.7 | -27.07 | 2 | 4 | 1 | 52 | 204.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
