| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (3S)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-phenyl-propanenitrile (3S)-3-[[(2R)-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) | 1.03 | 8.4 | -33.86 | 2 | 3 | 1 | 40 | 258.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 6.16 | -5.68 | 1 | 3 | 0 | 39 | 257.381 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
