| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 12 | Yes |
Popular Name: (1S,3R)-N1,N3,5,5-tetramethylcyclohexane-1,3-diamine (1S,3R)-N1,N3,5,5-tetramethylcyc…
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) | 1.69 | 3.6 | -100.03 | 4 | 2 | 2 | 33 | 172.316 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 2.33 | -35.97 | 3 | 2 | 1 | 29 | 171.308 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6077965; US6127496; WO1998016534A1; WO1998016564A2 | IBM Patent Data |
