In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 33 | Yes |
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) | 0.84 | 12.93 | -22.23 | 0 | 9 | 0 | 87 | 447.543 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 13.26 | -45.22 | 1 | 9 | 1 | 89 | 448.551 | 4 | ↓ |