| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2S,3R)-2-(benzothiophen-3-yl)-1-methyl-pyrrolidin-3-amine (2S,3R)-2-(benzothiophen-3-yl)-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) | 1.82 | 4.48 | -46.52 | 3 | 2 | 1 | 31 | 233.36 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.17 | -4 | 2 | 2 | 0 | 29 | 232.352 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 5.9 | -36.43 | 3 | 2 | 1 | 30 | 233.36 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.22 | -118.41 | 4 | 2 | 2 | 32 | 234.368 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
