In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 20 | Yes |
Popular Name: (2S,4R)-2-(2-chloro-6-fluoro-phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (2S,4R)-2-(2-chloro-6-fluoro-phe…
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) | 3.74 | 6.09 | -5.58 | 2 | 2 | 0 | 32 | 291.753 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 6.41 | -27.92 | 3 | 2 | 1 | 37 | 292.761 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.