In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 21 | Yes |
Popular Name: (7R,8S)-7-(4-isobutylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(4-isobutylpiperazin-1…
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) | 1.25 | 3.17 | -35.13 | 2 | 5 | 1 | 46 | 299.435 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 1.22 | -4.96 | 1 | 5 | 0 | 45 | 298.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.