In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 19 | No |
Popular Name: 2-[4-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[4-(chloromethyl)-2-pyridyl]-1…
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) | 3.58 | 10.4 | -6.28 | 0 | 2 | 0 | 16 | 272.779 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 10.76 | -31.16 | 1 | 2 | 1 | 17 | 273.787 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.