In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 29 | 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) | 2.75 | 0.13 | -13.77 | 1 | 7 | 0 | 89 | 399.443 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.17 | -0.05 | -20.11 | 0 | 7 | 0 | 86 | 399.443 | 9 | ↓ |