| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 17 | No |
Popular Name: (3S)-N-[1-(aminomethyl)cyclooctyl]-N-methyl-tetrahydrothiophen-3-amine (3S)-N-[1-(aminomethyl)cycloocty…
| 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) | 2.78 | 5.2 | -48.82 | 3 | 2 | 1 | 31 | 257.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 6.29 | -125.55 | 4 | 2 | 2 | 32 | 258.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
