In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 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) | 2.94 | 5.06 | -15.08 | 3 | 10 | 0 | 126 | 521.57 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 6.46 | -62.25 | 4 | 10 | 1 | 131 | 522.578 | 8 | ↓ |