In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 20 | Yes |
Popular Name: 4-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]morpholine 4-[2-[4-(3,3-dimethylbutyl)piper…
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) | 2.08 | 4.43 | -35.95 | 1 | 4 | 1 | 20 | 284.468 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 2.16 | -2.51 | 0 | 4 | 0 | 19 | 283.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 6.72 | -90.8 | 2 | 4 | 2 | 21 | 285.476 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.