| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | Yes |
Popular Name: 1-[4-fluoro-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-[[(2S)-2-methylpyr…
| 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) | 3.28 | 9.02 | -100.11 | 3 | 2 | 2 | 21 | 294.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.56 | -28.08 | 2 | 2 | 1 | 16 | 293.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
