In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 18 | 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) | 1.14 | 4.51 | -48.89 | 1 | 5 | -1 | 82 | 243.242 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.14 | 4.78 | -58.44 | 2 | 5 | 0 | 83 | 244.25 | 4 | ↓ |