In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 24 | 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) | 3.74 | 11.34 | -142.39 | 0 | 4 | -2 | 80 | 330.424 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 9.38 | -55.48 | 1 | 4 | -1 | 77 | 331.432 | 2 | ↓ |