| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2013 | 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 , 767291-67-8
| 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 | 13.04 | -109.55 | 2 | 2 | 2 | 9 | 312.586 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.71 | 10.76 | 0.29 | 0 | 2 | 0 | 6 | 310.57 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 11.32 | -30.96 | 1 | 2 | 1 | 8 | 311.578 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.