In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 21 | Yes |
Popular Name: 1-(3,9-diazaspiro[5.5]undecan-9-yl)-3-piperazin-1-yl-propan-1-one 1-(3,9-diazaspiro[5.5]undecan-9-…
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 | 3.06 | -96.94 | 4 | 5 | 2 | 57 | 296.459 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.43 | 1.7 | -51.01 | 3 | 5 | 1 | 52 | 295.451 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.