| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-(4,4-dimethyl-1-piperidyl)ethanamine (2S)-2-(5-chloro-2-thienyl)-2-(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) | 2.99 | 4.65 | -46.95 | 3 | 2 | 1 | 31 | 273.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 4.47 | -2.2 | 2 | 2 | 0 | 29 | 272.845 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 6.25 | -31.63 | 3 | 2 | 1 | 30 | 273.853 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 6.84 | -123.38 | 4 | 2 | 2 | 32 | 274.861 | 3 | ↓ |
