| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 22 | Yes |
Popular Name: (1R,2R)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine (1R,2R)-N,N'-Dimethyl-N,N'-bis(3…
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CAS Numbers: 644958-86-1 , [644958-86-1]
| 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) | 5.71 | 12.74 | -112.03 | 2 | 2 | 2 | 9 | 312.586 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 7.58 | -99.64 | 6 | 8 | 2 | 116 | 478.572 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.71 | 10.85 | -31.2 | 1 | 2 | 1 | 8 | 311.578 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 150 / 1 | TCI |
