| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 17 | Yes |
Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N,4-dimethyl-cyclohexanamine N-[[2-(aminomethyl)thiazol-4-yl]…
| 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) | 1.50 | 5.31 | -96.18 | 4 | 3 | 2 | 45 | 255.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 2.42 | -3.45 | 2 | 3 | 0 | 42 | 253.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 4.9 | -32.01 | 3 | 3 | 1 | 43 | 254.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
