In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 30 | 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) | 3.75 | 8.81 | -11.07 | 1 | 5 | 0 | 53 | 415.553 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 11.32 | -48.44 | 2 | 5 | 1 | 54 | 416.561 | 6 | ↓ |