| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-[(4…
| 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) | 2.41 | 8.62 | -32.49 | 2 | 2 | 1 | 16 | 279.473 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 6.56 | -33.94 | 2 | 2 | 1 | 20 | 279.473 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 8.8 | -101.98 | 3 | 2 | 2 | 21 | 280.481 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
