In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | 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) | 3.16 | 5.1 | -42.22 | 3 | 4 | 1 | 55 | 288.367 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 3.55 | -6.05 | 2 | 4 | 0 | 51 | 287.359 | 8 | ↓ |