| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: 4-[(7S)-7-(ethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one 4-[(7S)-7-(ethylamino)-4,5,6,7-t…
| 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) | 1.74 | 3.87 | -41.56 | 3 | 5 | 1 | 62 | 281.405 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.53 | -9.74 | 2 | 5 | 0 | 57 | 280.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.26 | -98.55 | 4 | 5 | 2 | 63 | 282.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
