In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 35 | 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) | 2.15 | 4.27 | -67.49 | 2 | 9 | -1 | 129 | 484.525 | 12 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 3.53 | -21.31 | 3 | 9 | 0 | 126 | 485.533 | 12 | ↓ |