In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 31 | 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) | 1.27 | 3.32 | -58.35 | 1 | 9 | -1 | 115 | 426.401 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 2.56 | -19.94 | 2 | 9 | 0 | 113 | 427.409 | 6 | ↓ |