In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 36 | 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) | 2.63 | 8.84 | -56.91 | 0 | 8 | -1 | 107 | 513.567 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.08 | -5.75 | -34.11 | 1 | 8 | 0 | 104 | 514.575 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.05 | -5.47 | -26.89 | 0 | 8 | 0 | 101 | 514.575 | 7 | ↓ |