| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 16 | 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) | -1.11 | -1.34 | -60.4 | 2 | 7 | 0 | 94 | 243.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.11 | -2.59 | -43.27 | 1 | 7 | -1 | 89 | 242.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.11 | -2.19 | -11.2 | 2 | 7 | 0 | 87 | 243.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.11 | -0.77 | -51.76 | 3 | 7 | 1 | 92 | 244.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
