| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (7S)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-(4-methyl-1,4-di…
| 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) | 2.06 | 7.95 | -83.03 | 3 | 4 | 2 | 37 | 282.457 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.57 | -6.71 | 1 | 4 | 0 | 31 | 280.441 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.98 | -38.62 | 2 | 4 | 1 | 36 | 281.449 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 8.36 | -166.09 | 4 | 4 | 3 | 38 | 283.465 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
