In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 18 | 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) | 3.20 | 4.98 | -10.52 | 2 | 4 | 0 | 50 | 242.278 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0357460A2; EP0357460B1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.