| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 4-amino-4-methyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one 4-amino-4-methyl-1-[4-(2-thienyl…
| 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) | 1.88 | 7.39 | -92.35 | 4 | 4 | 2 | 52 | 311.495 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 5.5 | -45.49 | 3 | 4 | 1 | 51 | 310.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
