In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 30 | 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) | 0.18 | 1.77 | -15.49 | 1 | 9 | 0 | 109 | 450.542 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.18 | 2.17 | -41.26 | 2 | 9 | 1 | 110 | 451.55 | 5 | ↓ |