In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 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) | 5.35 | 8.14 | -13.27 | 3 | 8 | 0 | 109 | 420.469 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.35 | 8.81 | -37.36 | 4 | 8 | 1 | 113 | 421.477 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.35 | 8.77 | -37.14 | 4 | 8 | 1 | 113 | 421.477 | 5 | ↓ |