In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 15 | Yes |
Popular Name: 1-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[[(2S)-1,4-dioxan-2-yl]meth…
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) | -1.39 | 0.59 | -52.09 | 2 | 7 | 1 | 79 | 214.249 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.39 | -0.85 | -9.76 | 1 | 7 | 0 | 74 | 213.241 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.