| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 16 | Yes |
Popular Name: 4-methyl-N1-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diamine 4-methyl-N1-[(1R,2R)-2-methylcyc…
| 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) | 4.47 | 6.1 | -2.6 | 3 | 2 | 0 | 38 | 218.344 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.47 | 6.24 | -31.74 | 4 | 2 | 1 | 43 | 219.352 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
