| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1R,2R,4R)-4-tert-butyl-N2-cyclopentyl-N2-methyl-cyclohexane-1,2-diamine (1R,2R,4R)-4-tert-butyl-N2-cyclo…
| 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) | 3.34 | 7.6 | -121.21 | 4 | 2 | 2 | 32 | 254.462 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 7.21 | -28.72 | 3 | 2 | 1 | 30 | 253.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
