In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 26 | 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) | 2.09 | 7.24 | -41.62 | 4 | 7 | 1 | 91 | 352.466 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 6.77 | -13.79 | 3 | 7 | 0 | 89 | 351.458 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 8.93 | -46.91 | 4 | 7 | 1 | 90 | 352.466 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 7.75 | -102.49 | 5 | 7 | 2 | 92 | 353.474 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.