In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2008 | 19 | 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) | 2.27 | 2.91 | -20.61 | 2 | 5 | 0 | 75 | 284.381 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 2.98 | -49.21 | 1 | 5 | -1 | 77 | 283.373 | 6 | ↓ |