| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(3-bromophenyl)-3-isoindolin-2-yl-propan-1-amine (1S)-1-(3-bromophenyl)-3-isoindo…
| 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) | 1.50 | 8.94 | -38.91 | 3 | 2 | 1 | 30 | 332.265 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 6.34 | -4.75 | 2 | 2 | 0 | 29 | 331.257 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 6.68 | -53.09 | 3 | 2 | 1 | 31 | 332.265 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 9.25 | -134.33 | 4 | 2 | 2 | 32 | 333.273 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
