| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(3-bromophenyl)-3-isoindolin-2-yl-N-methyl-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) | 2.85 | 9.86 | -42.56 | 2 | 2 | 1 | 16 | 346.292 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 8.39 | -46.82 | 2 | 2 | 1 | 20 | 346.292 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 7.29 | -4.33 | 1 | 2 | 0 | 15 | 345.284 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 10.95 | -127.49 | 3 | 2 | 2 | 21 | 347.3 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
