In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 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) | 2.49 | 8.27 | -57.77 | 2 | 8 | 1 | 90 | 455.531 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 8.92 | -69.06 | 1 | 8 | 1 | 87 | 455.531 | 9 | ↓ |