In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 16 | 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) | 2.48 | 4.47 | -7.22 | 2 | 3 | 0 | 52 | 218.231 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 4.42 | -28.59 | 3 | 3 | 1 | 53 | 219.239 | 2 | ↓ |