| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[(4-methyl-1,4-di…
| 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) | 1.25 | 8.6 | -173.78 | 4 | 4 | 3 | 39 | 268.425 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 6.65 | -89.69 | 3 | 4 | 2 | 37 | 267.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 6.61 | -79.88 | 3 | 4 | 2 | 37 | 267.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 4.65 | -37.45 | 2 | 4 | 1 | 36 | 266.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
