| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(2-thienyl)-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]ethanamine (1S)-1-(2-thienyl)-N-[2-[(3S)-3-…
| 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) | 3.68 | 6.73 | -40.28 | 2 | 2 | 1 | 20 | 307.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 5.53 | -2.77 | 1 | 2 | 0 | 15 | 306.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 7.75 | -40.4 | 2 | 2 | 1 | 16 | 307.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 8.96 | -124.51 | 3 | 2 | 2 | 21 | 308.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
