In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 15 | 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) | 1.36 | 5.67 | -104.64 | 4 | 3 | 2 | 47 | 209.337 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 5.24 | -47.64 | 3 | 3 | 1 | 45 | 208.329 | 1 | ↓ |