| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(3-chlorobenzothiophen-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(3-chlorobenzothiophen-2…
| 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) | 3.88 | 10.98 | -43.27 | 1 | 3 | 0 | 45 | 323.845 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 8.5 | -46.37 | 0 | 3 | -1 | 43 | 322.837 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
