In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 21 | Yes |
Popular Name: 2-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(3R)-1,2,3,4-tetrahydroquinol…
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) | 3.71 | 9.95 | -38.17 | 2 | 2 | 1 | 16 | 279.407 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 7.82 | -3.77 | 1 | 2 | 0 | 15 | 278.399 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.