In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 24 | 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) | 3.32 | 8.21 | -48.65 | 1 | 4 | -1 | 77 | 335.464 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 6.22 | -12.58 | 2 | 4 | 0 | 75 | 336.472 | 5 | ↓ |