In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 35 | Yes |
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) | 1.34 | 13.97 | -31.21 | 2 | 10 | 0 | 114 | 471.521 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 14.45 | -55.79 | 3 | 10 | 1 | 115 | 472.529 | 8 | ↓ |