In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 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) | 1.83 | 0.31 | -55.81 | 1 | 7 | 1 | 69 | 453.607 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 0.42 | -120.47 | 2 | 7 | 2 | 70 | 454.615 | 8 | ↓ |