| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (7S)-N-ethyl-2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-(4-methylpiperazi…
| 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) | 2.16 | 7.65 | -85.72 | 3 | 4 | 2 | 37 | 282.457 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 3.95 | -6.3 | 1 | 4 | 0 | 31 | 280.441 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.68 | -86.85 | 3 | 4 | 2 | 37 | 282.457 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 8.04 | -164.63 | 4 | 4 | 3 | 38 | 283.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.29 | -37.94 | 2 | 4 | 1 | 36 | 281.449 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
