In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | Yes |
Popular Name: 3-(2-ethoxypyridine-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one 3-(2-ethoxypyridine-3-carbonyl)-…
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) | 0.12 | 3.54 | -47.7 | 2 | 7 | 1 | 76 | 347.439 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 1.78 | -14.21 | 1 | 7 | 0 | 75 | 346.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.