In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 26 | 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) | 6.92 | 18.65 | -53.11 | 0 | 2 | -1 | 40 | 343.446 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.92 | 16.67 | -15.23 | 1 | 2 | 0 | 37 | 344.454 | 4 | ↓ |