| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 18 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-[(2S)-2-ethylpyrrolidin-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) | 1.79 | 5.73 | -56.95 | 3 | 3 | 1 | 48 | 263.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.32 | -9.46 | 2 | 3 | 0 | 46 | 262.378 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
