In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 33 | 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) | 3.63 | 1.46 | -46.05 | 2 | 7 | 1 | 80 | 453.559 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 1.31 | -47.91 | 1 | 7 | 1 | 77 | 453.559 | 11 | ↓ |