In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 20 | Yes |
Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-(1-methyl-4-piperidyl)thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N,4…
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) | 2.47 | 8.46 | -80.69 | 3 | 4 | 2 | 37 | 298.5 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 7.27 | -39.26 | 2 | 4 | 1 | 33 | 297.492 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.