| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 17 | Yes |
Popular Name: (3S)-3-(methylamino)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-2-one (3S)-3-(methylamino)-1-[(4S)-4,5…
| 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) | 1.56 | 6.19 | -43.06 | 2 | 3 | 1 | 37 | 251.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.83 | -10.84 | 1 | 3 | 0 | 32 | 250.367 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
