| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 16 | Yes |
Popular Name: (3S)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-3-amine (3S)-1-[(4S)-4,5,6,7-tetrahydrob…
| 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) | 1.60 | 4.05 | -41 | 3 | 2 | 1 | 31 | 237.392 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 6 | -109.26 | 4 | 2 | 2 | 32 | 238.4 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.69 | -32.17 | 3 | 2 | 1 | 30 | 237.392 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
