In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 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) | 3.27 | 5.96 | -5.76 | 1 | 2 | 0 | 33 | 219.309 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 3.9 | -48.57 | 0 | 2 | -1 | 36 | 218.301 | 2 | ↓ |