In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 35 | 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) | 6.30 | 15.75 | -15.86 | 1 | 6 | 0 | 73 | 518.067 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.48 | 14.32 | -47.92 | 0 | 6 | -1 | 79 | 517.059 | 8 | ↓ |