In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 6th, 2006 | 37 | 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) | -4.79 | 6.15 | -52.54 | 5 | 14 | 0 | 197 | 547.554 | 8 | ↓ |
Lo Low (pH 4.5-6) | -4.79 | 6.24 | -78.21 | 6 | 14 | 1 | 199 | 548.562 | 8 | ↓ |