| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 15 | Yes |
None
| 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) | 1.54 | 3.73 | -43.35 | 3 | 2 | 1 | 31 | 205.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.44 | -2.24 | 2 | 2 | 0 | 29 | 204.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 5.8 | -36.53 | 3 | 2 | 1 | 30 | 205.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 6.09 | -117.02 | 4 | 2 | 2 | 32 | 206.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
