In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 26 | Yes |
None
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) | 4.48 | 9.37 | -12.43 | 2 | 5 | 0 | 71 | 394.834 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.48 | 9.01 | -49.47 | 1 | 5 | -1 | 69 | 393.826 | 5 | ↓ |