| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 14 | No |
Popular Name: (3S)-N,N-diethyl-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[[(2R)-oxiran…
| 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) | 1.08 | 2.79 | -34.31 | 1 | 3 | 1 | 20 | 199.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 0.6 | -3.51 | 0 | 3 | 0 | 19 | 198.31 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 5.26 | -104.8 | 2 | 3 | 2 | 21 | 200.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
