| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 14 | Yes |
Popular Name: (4S,5R)-4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (4S,5R)-4-amino-9-methyl-2,3,4,5…
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) | 0.53 | 1.28 | -45.56 | 4 | 3 | 1 | 57 | 194.254 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 0.98 | -5.26 | 3 | 3 | 0 | 55 | 193.246 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
