| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | 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) | 1.40 | 5.57 | -59.14 | 1 | 7 | -1 | 104 | 308.339 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.29 | -110.55 | 0 | 7 | -2 | 106 | 307.331 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 3.89 | -20.58 | 2 | 7 | 0 | 105 | 309.347 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
