| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(2S)-1-ethylpyrrolidin-…
| 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) | 0.68 | 2.2 | -42.54 | 2 | 4 | 1 | 51 | 261.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | -0.13 | -10.17 | 1 | 4 | 0 | 49 | 260.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.32 | -131.07 | 3 | 4 | 2 | 55 | 262.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
