| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 30 | Yes |
Popular Name: LS-12381 LS-12381
2-[4-(2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethyl methoxyacetate
| 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) | 4.23 | 12.65 | -48.3 | 1 | 5 | 1 | 43 | 448.008 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 11.91 | -47.08 | 1 | 5 | 1 | 43 | 448.008 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 10.35 | -9.75 | 0 | 5 | 0 | 42 | 447 | 7 | ↓ |
