In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 21 | Yes |
Popular Name: (2R)-2-(5-ethyl-2-furyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-(5-ethyl-2-furyl)-2-(1,3,…
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) | 2.69 | 7.13 | -45.02 | 3 | 3 | 1 | 44 | 285.411 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 8.33 | -28.42 | 3 | 3 | 1 | 44 | 285.411 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 8.76 | -124.37 | 4 | 3 | 2 | 45 | 286.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.