In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 23 | 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) | 2.70 | 6.32 | -12.05 | 1 | 6 | 0 | 65 | 349.799 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 5.27 | -43.37 | 0 | 6 | -1 | 72 | 348.791 | 2 | ↓ |