| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 19 | Yes |
Popular Name: N-(2-thienylmethyl)-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethanamine N-(2-thienylmethyl)-2-[(3R)-3-(t…
| 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) | 3.12 | 6.22 | -43.32 | 2 | 2 | 1 | 20 | 293.378 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 4.86 | -3.32 | 1 | 2 | 0 | 15 | 292.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 7.09 | -40.85 | 2 | 2 | 1 | 16 | 293.378 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 8.44 | -126.86 | 3 | 2 | 2 | 21 | 294.386 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
