In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 38 | 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) | 3.65 | 10.61 | -72.23 | 1 | 9 | 0 | 106 | 522.598 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.65 | 9.84 | -45.37 | 2 | 9 | 1 | 103 | 523.606 | 12 | ↓ |