| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (3S)-1-[(1R)-2-amino-1-(3-thienyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(3-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) | 0.47 | 3.14 | -92.65 | 4 | 3 | 2 | 35 | 241.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 1.29 | -1.81 | 2 | 3 | 0 | 32 | 239.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 0.74 | -44.96 | 3 | 3 | 1 | 34 | 240.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
