| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 17 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-2-thieny…
| 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) | 1.25 | 4.99 | -56.65 | 3 | 3 | 1 | 48 | 249.359 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.59 | -9.37 | 2 | 3 | 0 | 46 | 248.351 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
