In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 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) | 6.25 | 12.63 | -9.99 | 1 | 4 | 0 | 47 | 450.369 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.25 | 13.2 | -28.74 | 2 | 4 | 1 | 48 | 451.377 | 6 | ↓ |