In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 39 | 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) | -0.24 | 4.51 | -186.81 | 2 | 14 | -3 | 225 | 593.597 | 11 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4203982 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.