| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | No |
Popular Name: (3S)-1-ethyl-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrrolidine-2,5-dione (3S)-1-ethyl-3-[[(4R)-4,5,6,7-te…
| 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) | 0.35 | 6.26 | -49.19 | 2 | 4 | 1 | 54 | 279.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 5.16 | -8.36 | 1 | 4 | 0 | 49 | 278.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
