| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 1-tert-butyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-tert-butyl-N-[(4S)-4,5,6,7-tet…
| 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) | 2.79 | 8.52 | -33.11 | 2 | 2 | 1 | 16 | 293.5 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.98 | -100.64 | 3 | 2 | 2 | 21 | 294.508 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 6.85 | -38.68 | 2 | 2 | 1 | 20 | 293.5 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
