| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 14 | 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) | -0.79 | 2.55 | -53.58 | 4 | 4 | 1 | 69 | 192.242 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 2.24 | -8.52 | 3 | 4 | 0 | 68 | 191.234 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 2.21 | -6.11 | 3 | 4 | 0 | 68 | 191.234 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | 2.89 | -114.47 | 5 | 4 | 2 | 71 | 193.25 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | 2.88 | -111.57 | 5 | 4 | 2 | 71 | 193.25 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
