| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 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) | -2.65 | -1.63 | -68.74 | 4 | 7 | 1 | 103 | 225.228 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.20 | -4.14 | -39 | 2 | 7 | -1 | 101 | 223.212 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.20 | -4.79 | -54.91 | 2 | 7 | -1 | 101 | 223.212 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.65 | -3.01 | -22.02 | 3 | 7 | 0 | 98 | 224.22 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.20 | -2.77 | -66.53 | 3 | 7 | 0 | 106 | 224.22 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
