In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 30 | 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) | 1.77 | 6.5 | -19.82 | 2 | 9 | 0 | 114 | 423.502 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 6.96 | -54.06 | 3 | 9 | 1 | 115 | 424.51 | 8 | ↓ |