In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 26 | 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) | 4.02 | 8.52 | -16.74 | 1 | 6 | 0 | 77 | 409.298 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 8.6 | -48.57 | 0 | 6 | -1 | 79 | 408.29 | 4 | ↓ |