In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 16 | 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) | 3.64 | 5.65 | -4.9 | 1 | 2 | 0 | 29 | 220.312 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO2000009463A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.