In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 22 | Yes |
Popular Name: 2-[butyl(ethyl)amino]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone 2-[butyl(ethyl)amino]-1-[4-(2-th…
None
None
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) | 2.70 | 8.39 | -38.79 | 1 | 4 | 1 | 28 | 324.514 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 6.42 | -8.8 | 0 | 4 | 0 | 27 | 323.506 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 10.6 | -98.32 | 2 | 4 | 2 | 29 | 325.522 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.