In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 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) | 2.03 | -3.9 | -15.75 | 2 | 7 | 0 | 93 | 408.483 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | -3.84 | -45.56 | 3 | 7 | 1 | 94 | 409.491 | 6 | ↓ |