| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (1S,2S)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-(3-thienyl)butan-2-amine (1S,2S)-1-(1,3,4,5-tetrahydro-2-…
| 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) | 3.16 | 7.19 | -43.11 | 3 | 2 | 1 | 31 | 301.479 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 8.94 | -33.04 | 3 | 2 | 1 | 30 | 301.479 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.47 | -2.73 | 2 | 2 | 0 | 29 | 300.471 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.22 | -117.41 | 4 | 2 | 2 | 32 | 302.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
