In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 34 | 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) | 3.15 | 9.54 | -80.59 | 1 | 8 | 0 | 93 | 468.55 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 11.23 | -45.74 | 1 | 8 | 1 | 87 | 469.558 | 10 | ↓ |