In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2006 | 27 | No |
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) | 2.19 | 0.63 | -15.93 | 4 | 9 | 0 | 139 | 376.317 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 1.56 | -50.03 | 3 | 9 | -1 | 142 | 375.309 | 4 | ↓ |