| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | No |
Popular Name: (3S)-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-methyl-tetrahydrothiophen-3-amine (3S)-N-[[2-[(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) | 1.52 | 7.02 | -94.07 | 3 | 3 | 2 | 34 | 287.498 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 3.55 | -6.42 | 1 | 3 | 0 | 28 | 285.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 4.76 | -37.43 | 2 | 3 | 1 | 33 | 286.49 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
