In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 20 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[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) | 0.43 | 2.53 | -39.22 | 2 | 5 | 1 | 53 | 297.448 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.43 | 2.56 | -8.54 | 1 | 5 | 0 | 48 | 296.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.