| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | No |
Popular Name: (3S)-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-3-amine (3S)-N-[[3-[(isopropylamino)meth…
| 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) | 1.58 | 7.09 | -101.74 | 3 | 4 | 2 | 47 | 271.43 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.9 | -45.1 | 2 | 4 | 1 | 42 | 270.422 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
