In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 29 | 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) | 4.13 | 7.75 | -17.94 | 1 | 5 | 0 | 54 | 411.502 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.13 | 10.19 | -50.84 | 2 | 5 | 1 | 56 | 412.51 | 6 | ↓ |