In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 9 | Yes |
Popular Name: Cyclohexanol, 2-amino-2-methyl-, cis- (9CI) Cyclohexanol, 2-amino-2-methyl-,…
Find On: PubMed — Wikipedia — Google
CAS Number: 169153-49-5
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) | 0.92 | -0.77 | -35.97 | 4 | 2 | 1 | 48 | 130.211 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.92 | -0.58 | -2.16 | 3 | 2 | 0 | 46 | 129.203 | 0 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0538332A1; EP0538332B1; US5393755 | IBM Patent Data |