In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 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) | 1.47 | -1.75 | -16.57 | 5 | 10 | 0 | 155 | 482.441 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.47 | -0.76 | -55.79 | 4 | 10 | -1 | 158 | 481.433 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.47 | -0.47 | -55.48 | 4 | 10 | -1 | 158 | 481.433 | 4 | ↓ |