| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 14 | Yes |
Popular Name: (4S)-4-amino-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one (4S)-4-amino-7-methyl-3,4-dihydr…
Find On: PubMed — Wikipedia — Google
CAS Number: N/A
| 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) | 0.89 | 2.48 | -6.67 | 2 | 3 | 0 | 52 | 191.23 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 2.82 | -46.01 | 3 | 3 | 1 | 54 | 192.238 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
