| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-1-(4-ethyl-1-piperidyl)propan-2-amine (1S,2S)-1-(4-bromo-2-thienyl)-1-…
| 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) | 3.60 | 5.52 | -41.38 | 3 | 2 | 1 | 31 | 332.331 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 7.75 | -33.94 | 3 | 2 | 1 | 30 | 332.331 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 5.19 | -1.03 | 2 | 2 | 0 | 29 | 331.323 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 8.09 | -118.75 | 4 | 2 | 2 | 32 | 333.339 | 4 | ↓ |
