In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 33 | 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) | 2.07 | 4.99 | -68.35 | 2 | 9 | 1 | 114 | 500.594 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 2.84 | -26.82 | 1 | 9 | 0 | 113 | 499.586 | 9 | ↓ |