| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[(1R,2R,5S)-2-(aminomethyl)-5-tert-butyl-cyclohexyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R,5S)-2-(aminomethy…
| 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) | 2.40 | 6.07 | -100.4 | 4 | 3 | 2 | 35 | 283.504 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 3.67 | -44.66 | 3 | 3 | 1 | 34 | 282.496 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.94 | -211.73 | 5 | 3 | 3 | 37 | 284.512 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
