In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 30 | 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) | 0.70 | 10.77 | -36.79 | 4 | 7 | 1 | 101 | 439.952 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 10.75 | -13.75 | 3 | 7 | 0 | 99 | 438.944 | 5 | ↓ |