In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 13 | 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) | 1.92 | 6.43 | -54.09 | 2 | 2 | 1 | 40 | 181.303 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.15 | -5.77 | 1 | 2 | 0 | 36 | 180.295 | 4 | ↓ |