| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (7R)-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methyl-1,4-diazepan-1-…
| 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) | -0.20 | 6.23 | -89.7 | 4 | 4 | 2 | 48 | 268.43 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 3.92 | -6.33 | 2 | 4 | 0 | 45 | 266.414 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 4.25 | -44.48 | 3 | 4 | 1 | 47 | 267.422 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.20 | 6.64 | -170.12 | 5 | 4 | 3 | 49 | 269.438 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
