| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2014 | 19 | No |
Popular Name: (1Z)-3-Ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanethione (1Z)-3-Ethyl-1-(3-ethyl-1,3-benz…
| 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) | 2.04 | 12.11 | -9.99 | 0 | 1 | 0 | 4 | 291.485 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 11.39 | -22.07 | 0 | 1 | 1 | 4 | 292.493 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 11.58 | -25.83 | 0 | 1 | 1 | 4 | 292.493 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.