| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | No |
Popular Name: (3S)-3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,4S)-2,4-dimethyl…
| 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) | 1.42 | 6.23 | -48.15 | 2 | 4 | 1 | 54 | 253.366 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.33 | -8.26 | 1 | 4 | 0 | 49 | 252.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.33 | -5.91 | 1 | 4 | 0 | 49 | 252.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
