In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 27 | Yes |
Popular Name: 3-(1-adamantylmethyl)-1-[5-(azepan-1-yl)pentyl]guanidine 3-(1-adamantylmethyl)-1-[5-(azep…
None
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) | 4.97 | 13.47 | -82.02 | 5 | 4 | 2 | 54 | 376.633 | 10 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP1056733A1 | IBM Patent Data |