In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 20 | Yes |
Popular Name: [3-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanamine [3-chloro-6-(1,3,4,5-tetrahydro-…
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) | 3.32 | 7.49 | -38.7 | 3 | 3 | 1 | 44 | 288.802 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 7.09 | -5.97 | 2 | 3 | 0 | 42 | 287.794 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.