In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 31st, 2008 | 25 | 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) | 0.85 | 3.35 | -18.36 | 2 | 7 | 0 | 103 | 377.447 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.29 | -47.92 | 1 | 7 | -1 | 106 | 376.439 | 2 | ↓ |