In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 37 | 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) | 3.92 | 8.67 | -48.09 | 3 | 8 | 1 | 101 | 509.623 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 9.33 | -57.59 | 2 | 8 | 1 | 98 | 509.623 | 11 | ↓ |