| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 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) | 1.02 | 3.99 | -8.34 | 2 | 4 | 0 | 57 | 188.234 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 4.46 | -29.26 | 3 | 4 | 1 | 58 | 189.242 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 4.47 | -35.6 | 3 | 4 | 1 | 58 | 189.242 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 4.94 | -83.19 | 4 | 4 | 2 | 59 | 190.25 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
