In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 33 | 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) | 2.96 | 4.04 | -12.99 | 3 | 9 | 0 | 125 | 448.479 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 4.36 | -62.18 | 4 | 9 | 1 | 126 | 449.487 | 7 | ↓ |