In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 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) | 1.45 | 6.25 | -42.91 | 3 | 2 | 1 | 37 | 230.331 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 5.92 | -3.86 | 2 | 2 | 0 | 35 | 229.323 | 5 | ↓ |