In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 32 | 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) | 3.77 | 11.2 | -54.52 | 2 | 8 | 1 | 110 | 436.419 | 4 | ↓ |
Ref Reference (pH 7) | 3.77 | 9 | -22.56 | 1 | 8 | 0 | 108 | 435.411 | 4 | ↓ |