In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2006 | 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) | 2.14 | 6.06 | -56.9 | 1 | 9 | -1 | 136 | 411.39 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.58 | -1.88 | -26.89 | 2 | 9 | 0 | 132 | 412.398 | 7 | ↓ |