In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 31 | Yes |
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) | 2.13 | 3.87 | -68.59 | 2 | 9 | 1 | 99 | 450.537 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 4.76 | -22.92 | 1 | 9 | 0 | 97 | 449.529 | 8 | ↓ |