| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 21 | Yes |
Popular Name: 3-[4-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[(2,4,6-trimethylphenyl)met…
| 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) | 2.18 | 5 | -43.07 | 3 | 3 | 1 | 34 | 290.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 7.09 | -89.29 | 4 | 3 | 2 | 35 | 291.483 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 7.06 | -106.33 | 4 | 3 | 2 | 35 | 291.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
