| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 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) | 2.88 | 5.05 | -42.68 | 3 | 2 | 1 | 41 | 213.304 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 4.79 | -4.62 | 2 | 2 | 0 | 39 | 212.296 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 5.52 | -97.59 | 4 | 2 | 2 | 42 | 214.312 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
