In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 32 | 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) | 1.77 | 0.65 | -22.38 | 1 | 9 | 0 | 113 | 499.636 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 3.19 | -54.57 | 2 | 9 | 1 | 114 | 500.644 | 7 | ↓ |