| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (1S,2S)-1-(1,3-dihydroisobenzofuran-5-yl)-2,3-dimethyl-butan-1-amine (1S,2S)-1-(1,3-dihydroisobenzofu…
| 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) | 1.76 | 4.81 | -48.44 | 3 | 2 | 1 | 37 | 220.336 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 4.5 | -3.31 | 2 | 2 | 0 | 35 | 219.328 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
