| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 18 | Yes |
Popular Name: (S)-(5-bromo-2-thienyl)-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine (S)-(5-bromo-2-thienyl)-[(2S)-2,…
| 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) | 1.40 | 5.5 | -50.47 | 3 | 3 | 1 | 46 | 327.223 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.22 | -5.71 | 2 | 3 | 0 | 44 | 326.215 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
