In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 19 | No |
Popular Name: 2-(2-pyrazol-1-ylethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(2-pyrazol-1-ylethyl)-2,4,8-tr…
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) | -0.86 | 2.16 | -57.04 | 3 | 7 | 1 | 84 | 264.309 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.86 | 0.84 | -9.86 | 2 | 7 | 0 | 79 | 263.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.