| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: (7S)-2-(4-isopropylpiperazin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(4-isopropylpiperazin-1-y…
| 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) | 1.10 | 7.11 | -90.81 | 4 | 4 | 2 | 48 | 310.511 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 4.64 | -4.34 | 2 | 4 | 0 | 45 | 308.495 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.35 | -95.39 | 4 | 4 | 2 | 48 | 310.511 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 7.51 | -173.84 | 5 | 4 | 3 | 49 | 311.519 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 4.96 | -45.17 | 3 | 4 | 1 | 47 | 309.503 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
