In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 19 | 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) | 1.97 | 5.36 | -36.71 | 4 | 4 | 1 | 60 | 262.377 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 3.24 | -11.58 | 3 | 4 | 0 | 58 | 261.369 | 3 | ↓ |