| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | Yes |
Popular Name: [5-[(4-methyl-1,4-diazepan-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(4-methyl-1,4-diazepan-1-yl)…
None
| 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) | 0.05 | 3.98 | -187.12 | 5 | 5 | 3 | 63 | 227.332 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 1.28 | -40.7 | 3 | 5 | 1 | 60 | 225.316 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 1.68 | -101.5 | 4 | 5 | 2 | 61 | 226.324 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 1.85 | -91 | 4 | 5 | 2 | 61 | 226.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
