| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 14 | No |
Popular Name: (3S)-N-[(1S)-1-(2-thienyl)propyl]tetrahydrothiophen-3-amine (3S)-N-[(1S)-1-(2-thienyl)propyl…
| 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) | 3.10 | 7.29 | -37.39 | 2 | 1 | 1 | 17 | 228.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.37 | -2.71 | 1 | 1 | 0 | 12 | 227.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
