In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 15 | 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) | -0.04 | 5.21 | -47.56 | 3 | 3 | 1 | 43 | 224.353 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 2.87 | -12.29 | 2 | 3 | 0 | 42 | 223.345 | 6 | ↓ |