| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: (7S)-N-ethyl-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N-ethyl-5,5-dimethyl-2-(4-m…
| 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) | 3.05 | 8.54 | -86.35 | 3 | 4 | 2 | 37 | 310.511 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 4.84 | -5.94 | 1 | 4 | 0 | 31 | 308.495 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 6.18 | -38.19 | 2 | 4 | 1 | 36 | 309.503 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 6.57 | -88.05 | 3 | 4 | 2 | 37 | 310.511 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 8.93 | -167.13 | 4 | 4 | 3 | 38 | 311.519 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
