| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | Yes |
Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-4-ethyl-N-methyl-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) | 2.19 | 5.92 | -96.75 | 4 | 3 | 2 | 45 | 269.458 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.21 | -4.56 | 2 | 3 | 0 | 42 | 267.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 5.51 | -32.42 | 3 | 3 | 1 | 43 | 268.45 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
