In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 33 | 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) | 3.39 | 9.42 | -58.47 | 0 | 9 | -1 | 125 | 453.471 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.83 | 9.58 | -14.83 | 1 | 9 | 0 | 122 | 454.479 | 9 | ↓ |