| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 17 | No |
Popular Name: (3R)-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrrolidine-2,5-dione (3R)-3-[[(4S)-4,5,6,7-tetrahydro…
| 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) | -0.27 | 2.94 | -50.1 | 3 | 4 | 1 | 63 | 251.331 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.27 | 1.88 | -8.88 | 2 | 4 | 0 | 58 | 250.323 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 0.4 | -40 | 2 | 4 | 0 | 69 | 250.323 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
