| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 16 | No |
| 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) | -0.35 | 4.98 | -103.16 | 3 | 4 | 2 | 41 | 245.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | 1.55 | -8.34 | 1 | 4 | 0 | 36 | 243.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 3.65 | -44.27 | 2 | 4 | 1 | 37 | 244.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 2.88 | -50.99 | 2 | 4 | 1 | 40 | 244.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
