| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 27 | Yes |
Popular Name: 2-[benzyl(chloro)BLAHyl]sulfanyl-N,N-dimethyl-ethanamine 2-[benzyl(chloro)BLAHyl]sulfanyl…
| 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) | 4.57 | 12.71 | -92.47 | 2 | 4 | 2 | 35 | 423.051 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 10.59 | -39.42 | 1 | 4 | 1 | 33 | 422.043 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 8.11 | -5.97 | 0 | 4 | 0 | 32 | 421.035 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
