In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 36 | No |
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) | 2.20 | 6.44 | -32.9 | 4 | 16 | 1 | 206 | 499.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 4.32 | -9.73 | 3 | 16 | 0 | 205 | 498.46 | 7 | ↓ |