In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 18 | Yes |
Popular Name: [4-(2-dimethylaminoethyl)piperazin-1-yl]-(2-furyl)methanone [4-(2-dimethylaminoethyl)piperaz…
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) | 0.55 | 4.35 | -42.78 | 1 | 5 | 1 | 41 | 252.338 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.55 | 1.86 | -8.2 | 0 | 5 | 0 | 40 | 251.33 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.55 | 6.57 | -119.34 | 2 | 5 | 2 | 42 | 253.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.