In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 10 | No |
Popular Name: (1S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-amine (1S,3S)-5,5-dioxo-5$l^{6}-thiasp…
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) | -0.57 | -1.02 | -59.78 | 3 | 3 | 1 | 62 | 162.234 | 0 | ↓ |
Mid Mid (pH 6-8) | -0.57 | -1.35 | -11.24 | 2 | 3 | 0 | 60 | 161.226 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.