In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 22 | Yes |
Popular Name: 3-(5-hydroxypyrazine-2-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(5-hydroxypyrazine-2-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) | -0.39 | 1.42 | -15.99 | 2 | 7 | 0 | 95 | 304.35 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.06 | -0.68 | -43.67 | 1 | 7 | -1 | 98 | 303.342 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.