| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | 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) | -0.69 | 2.49 | -29.59 | 2 | 4 | 1 | 43 | 210.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 2.03 | -8.07 | 1 | 4 | 0 | 41 | 209.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | 4.65 | -103.08 | 3 | 4 | 2 | 44 | 211.309 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.69 | 4.25 | -39.08 | 2 | 4 | 1 | 42 | 210.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
