In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | 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) | 2.57 | 6.72 | -4.07 | 1 | 2 | 0 | 25 | 226.323 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 7.16 | -35.52 | 2 | 2 | 1 | 26 | 227.331 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 8 | -48.76 | 2 | 2 | 1 | 29 | 227.331 | 5 | ↓ |