In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | 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) | 2.96 | 4.96 | -12.44 | 2 | 3 | 0 | 58 | 260.314 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.97 | -54.23 | 1 | 3 | -1 | 60 | 259.306 | 4 | ↓ |