| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 9 | 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) | 0.38 | 0.48 | -35.54 | 2 | 2 | 1 | 20 | 127.211 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | -0.96 | -1.9 | 1 | 2 | 0 | 15 | 126.203 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 2.03 | -30.8 | 2 | 2 | 1 | 16 | 127.211 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.38 | 3.42 | -99.34 | 3 | 2 | 2 | 21 | 128.219 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
