| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 27 | 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) | 2.45 | 8.57 | -40.95 | 2 | 5 | 1 | 53 | 369.464 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 10.38 | -60.86 | 2 | 5 | 1 | 53 | 369.464 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 10.86 | -124.97 | 3 | 5 | 2 | 55 | 370.472 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 8.16 | -12.13 | 1 | 5 | 0 | 52 | 368.456 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
