| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: (7S)-N-methyl-2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-(4-methylpiperaz…
| 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) | 1.79 | 6.79 | -86.85 | 3 | 4 | 2 | 37 | 268.43 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 3.03 | -6.54 | 1 | 4 | 0 | 31 | 266.414 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.44 | -39.39 | 2 | 4 | 1 | 36 | 267.422 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 7.19 | -164.79 | 4 | 4 | 3 | 38 | 269.438 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
