| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: (3S)-1-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-[[(3R)-1,1-dioxothiola…
| 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) | -0.20 | 1.16 | -111.05 | 3 | 5 | 2 | 58 | 277.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | -2.4 | -10.69 | 1 | 5 | 0 | 53 | 275.418 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | -0.01 | -44.44 | 2 | 5 | 1 | 54 | 276.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
