| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 25 | 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) | 3.24 | 6.5 | -111.63 | 0 | 6 | -2 | 101 | 372.427 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.49 | -51.61 | 1 | 6 | -1 | 99 | 373.435 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 6.94 | -114.02 | 1 | 6 | -1 | 103 | 373.435 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
