In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2006 | 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) | 4.36 | -2.94 | -55.14 | 1 | 5 | -1 | 86 | 340.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.36 | -2.49 | -130.41 | 0 | 5 | -2 | 88 | 339.372 | 4 | ↓ |