In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 22 | 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) | 0.88 | 3.16 | -52.29 | 2 | 7 | -1 | 111 | 313.374 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Notes | Cysteine protease inhibitor | Apollo Scientific Bioactives |