| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | No |
Popular Name: 2-[(3-aminophenyl)methyl-[(3S)-2-oxoazepan-3-yl]amino]acetamide 2-[(3-aminophenyl)methyl-[(3S)-2…
| 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) | -0.47 | 0.68 | -32.11 | 6 | 6 | 1 | 103 | 291.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | -1.45 | -13.04 | 5 | 6 | 0 | 101 | 290.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
