| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (2S,3R)-2-(benzothiophen-3-yl)-1-isobutyl-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) | 2.94 | 7.01 | -47.26 | 3 | 2 | 1 | 31 | 275.441 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 6.58 | -3.24 | 2 | 2 | 0 | 29 | 274.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 8.26 | -120.42 | 4 | 2 | 2 | 32 | 276.449 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 8.1 | -34.12 | 3 | 2 | 1 | 30 | 275.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
