| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 16 | No |
Popular Name: (3S)-N-[2-(aminomethyl)-4-chloro-phenyl]-N-methyl-tetrahydrothiophen-3-amine (3S)-N-[2-(aminomethyl)-4-chloro…
| 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) | 2.48 | 6.47 | -45.95 | 3 | 2 | 1 | 31 | 257.81 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 6.2 | -2.37 | 2 | 2 | 0 | 29 | 256.802 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
