In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 22 | Yes |
Popular Name: 4,6-dimethyl-2-(11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)pyridine-3-carbonitrile 4,6-dimethyl-2-(11-oxo-3,7,10-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) | 0.88 | 4.35 | -51.83 | 3 | 6 | 1 | 86 | 300.386 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 3.19 | -12.71 | 2 | 6 | 0 | 81 | 299.378 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.