| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: [(3R)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-3-piperidyl]methanamine [(3R)-1-[(4S)-4,5,6,7-tetrahydro…
| 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) | 1.91 | 4.8 | -43.12 | 3 | 2 | 1 | 31 | 251.419 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 6.75 | -101.81 | 4 | 2 | 2 | 32 | 252.427 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
