In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 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) | 1.21 | 1.23 | -47.04 | 1 | 7 | -1 | 105 | 288.301 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 1.31 | -115.58 | 0 | 7 | -2 | 107 | 287.293 | 6 | ↓ |