In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 17 | 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) | 3.63 | 8.02 | -37.16 | 2 | 2 | 1 | 26 | 236.379 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 6.79 | -2.24 | 1 | 2 | 0 | 21 | 235.371 | 9 | ↓ |