In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 13 | 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) | -0.03 | 1.43 | -51.78 | 4 | 2 | 1 | 48 | 249.103 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.03 | 1.14 | -4.69 | 3 | 2 | 0 | 46 | 248.095 | 3 | ↓ |