In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 30 | Yes |
None
None
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) | 0.35 | 5.78 | -18.96 | 3 | 10 | 0 | 129 | 408.418 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 3.25 | -55.92 | 2 | 10 | -1 | 132 | 407.41 | 4 | ↓ |