| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-(3-chloro-4-isoindolin-2-yl-phenyl)-N-methyl-ethanamine (1S)-1-(3-chloro-4-isoindolin-2-…
| 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) | 3.75 | 10.02 | -43.37 | 2 | 2 | 1 | 20 | 287.814 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 8.84 | -3.1 | 1 | 2 | 0 | 15 | 286.806 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
