In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | No |
Popular Name: [(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(6,8-dihydro-5H-imidazo[…
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) | -1.84 | -0.27 | -121.6 | 4 | 6 | 2 | 84 | 272.374 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.84 | -1.54 | -15.75 | 2 | 6 | 0 | 81 | 270.358 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.84 | -0.73 | -66.52 | 3 | 6 | 1 | 83 | 271.366 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.84 | -1.07 | -39.56 | 3 | 6 | 1 | 82 | 271.366 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.