| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: N-[[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(1,3,4,5-tetrahydro-2-benz…
| 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) | 2.49 | 9.21 | -92.71 | 3 | 3 | 2 | 34 | 303.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 5.75 | -5.38 | 1 | 3 | 0 | 28 | 301.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.13 | -40.87 | 2 | 3 | 1 | 33 | 302.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
