| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: (4S)-1-[[5-(3-aminoprop-1-ynyl)-2-thienyl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[5-(3-aminoprop-1-ynyl)-…
| 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) | 1.08 | 5.26 | -12.76 | 2 | 3 | 0 | 46 | 248.351 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 5.67 | -52.61 | 3 | 3 | 1 | 48 | 249.359 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
