| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
Popular Name: [(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(1,3,4,5-tetrahydro-2-be…
| 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) | 2.04 | 6.03 | -42.25 | 3 | 2 | 1 | 31 | 277.457 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.69 | -2.16 | 2 | 2 | 0 | 29 | 276.449 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 7.34 | -31.85 | 3 | 2 | 1 | 30 | 277.457 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 7.7 | -121.12 | 4 | 2 | 2 | 32 | 278.465 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
