In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 30 | No |
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) | 2.97 | 5.7 | -53.25 | 0 | 8 | -1 | 103 | 409.418 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 7.47 | -14.33 | 1 | 8 | 0 | 100 | 410.426 | 5 | ↓ |