In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 19 | No |
Popular Name: 2-[1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-4-piperidyl]acetamide 2-[1-[2-[4-(chloromethyl)thiazol…
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) | 1.58 | 4.84 | -43.68 | 3 | 4 | 1 | 60 | 302.851 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.62 | -11.35 | 2 | 4 | 0 | 59 | 301.843 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.