In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 27 | 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) | 1.66 | 4.58 | -65.73 | 1 | 8 | 1 | 91 | 410.545 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 5.07 | -128.49 | 2 | 8 | 2 | 93 | 411.553 | 9 | ↓ |