| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethanamine N-[(5-chloro-2-thienyl)methyl]-2…
| 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) | 3.93 | 6.84 | -47.64 | 2 | 2 | 1 | 20 | 327.823 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 5.48 | -3.16 | 1 | 2 | 0 | 15 | 326.815 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 7.71 | -42.66 | 2 | 2 | 1 | 16 | 327.823 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.93 | 9.06 | -133.05 | 3 | 2 | 2 | 21 | 328.831 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
