In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 31 | 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) | 4.31 | 11.8 | -56.29 | 2 | 6 | 1 | 57 | 467.725 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 9.59 | -13.13 | 1 | 6 | 0 | 56 | 466.717 | 9 | ↓ |