In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 28 | 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) | 4.05 | 10.25 | -10.36 | 1 | 5 | 0 | 50 | 382.414 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 10.72 | -33.92 | 2 | 5 | 1 | 52 | 383.422 | 5 | ↓ |