| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 13 | 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 | 3.29 | -44.95 | 3 | 3 | 1 | 42 | 198.315 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.03 | -4.24 | 2 | 3 | 0 | 37 | 197.307 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 3.7 | -90.18 | 4 | 3 | 2 | 43 | 199.323 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
