In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 20 | Yes |
Popular Name: (4-isopropylthiazol-2-yl)-[(1S,6R)-9-methyl-4,9-diazabicyclo[4.2.1]nonan-4-yl]methanone (4-isopropylthiazol-2-yl)-[(1S,6…
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) | 1.86 | 7.15 | -50 | 1 | 4 | 1 | 38 | 294.444 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 5.73 | -11.87 | 0 | 4 | 0 | 36 | 293.436 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.