In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2009 | 26 | No |
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) | 2.21 | 6.03 | -44.62 | 3 | 9 | 1 | 118 | 367.426 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.86 | -14.67 | 2 | 9 | 0 | 116 | 366.418 | 8 | ↓ |