| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(1,…
| 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) | 2.38 | 7.33 | -43.12 | 3 | 3 | 1 | 54 | 256.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 6.42 | -8.92 | 2 | 3 | 0 | 53 | 255.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
