In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 17 | Yes |
Popular Name: (6R,7R)-6-amino-7-(5-bromo-2-furyl)-1-ethyl-azepan-2-one (6R,7R)-6-amino-7-(5-bromo-2-fur…
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) | 1.58 | 4.23 | -53.39 | 3 | 4 | 1 | 61 | 302.192 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.97 | -9.16 | 2 | 4 | 0 | 59 | 301.184 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.