In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 23 | Yes |
Popular Name: 2-[4-[(2-isopropylthiazol-4-yl)methylamino]-1-piperidyl]-N-propyl-acetamide 2-[4-[(2-isopropylthiazol-4-yl)m…
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) | 2.34 | 4.43 | -41.82 | 3 | 5 | 1 | 62 | 339.529 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 3.23 | -10.24 | 2 | 5 | 0 | 57 | 338.521 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.