| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-N-ethyl-3-isoindolin-2-yl-1-phenyl-propan-1-amine (1S)-N-ethyl-3-isoindolin-2-yl-1…
| 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) | 2.44 | 8.54 | -38.46 | 2 | 2 | 1 | 20 | 281.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 10.09 | -40.57 | 2 | 2 | 1 | 16 | 281.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 11.1 | -116.26 | 3 | 2 | 2 | 21 | 282.431 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
