In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 35 | 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) | 5.22 | 9.52 | -52.94 | 2 | 7 | -1 | 106 | 506.991 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.22 | 10.17 | -18.58 | 3 | 7 | 0 | 104 | 507.999 | 9 | ↓ |