| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanamine (2S)-2-(5-bromo-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) | 2.77 | 6.94 | -94.33 | 4 | 3 | 2 | 35 | 374.392 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.78 | -33.41 | 3 | 3 | 1 | 34 | 373.384 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 9.15 | -201.61 | 5 | 3 | 3 | 37 | 375.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
