| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 15 | Yes |
Popular Name: 2-[(2S)-2-(4,5-dimethyl-2-thienyl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(4,5-dimethyl-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) | 1.63 | 3.34 | -39.45 | 3 | 2 | 1 | 31 | 225.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 5.16 | -31.22 | 3 | 2 | 1 | 30 | 225.381 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 5.56 | -108.3 | 4 | 2 | 2 | 32 | 226.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
