| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 18 | No |
Popular Name: 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide 2-[2-aminoethyl(methyl)amino]-N-…
| 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) | 0.18 | -2.09 | -62.46 | 3 | 6 | 0 | 92 | 265.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | -0.12 | -30.82 | 3 | 6 | 0 | 92 | 265.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | -2.48 | -40.34 | 2 | 6 | -1 | 90 | 264.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | -1.15 | -49.93 | 4 | 6 | 1 | 86 | 266.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 1.12 | -125.29 | 5 | 6 | 2 | 87 | 267.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
