| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (7S)-N2-methyl-N2-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-[2-(4-pyridyl)…
| 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) | 0.16 | 6.15 | -47.92 | 3 | 4 | 1 | 57 | 289.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 5.83 | -7.96 | 2 | 4 | 0 | 55 | 288.42 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 6.56 | -102.29 | 4 | 4 | 2 | 58 | 290.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 6.6 | -83.2 | 4 | 4 | 2 | 58 | 290.436 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 7.01 | -163.42 | 5 | 4 | 3 | 59 | 291.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
