In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 20 | Yes |
Popular Name: (2R)-2-(5-bromo-2-furyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine (2R)-2-(5-bromo-2-furyl)-2-(3,5-…
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) | 2.19 | 4.5 | -51.57 | 3 | 4 | 1 | 53 | 338.225 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 3.68 | -6.32 | 2 | 4 | 0 | 52 | 337.217 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.