| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (6S,7S)-6-amino-7-(2,5-dimethyl-3-thienyl)-1-propyl-azepan-2-one (6S,7S)-6-amino-7-(2,5-dimethyl-…
| 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) | 1.93 | 6.35 | -59.1 | 3 | 3 | 1 | 48 | 281.445 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 6.32 | -7.3 | 2 | 3 | 0 | 46 | 280.437 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
