| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-3-(azocan-1-yl)-2-cyclopropyl-2-(propylamino)propanoic (2S)-3-(azocan-1-yl)-2-cycloprop…
| 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) | 1.12 | 9.62 | -60.14 | 3 | 4 | 1 | 61 | 283.436 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 9.62 | -35.01 | 2 | 4 | 0 | 57 | 282.428 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 8.88 | -29.45 | 2 | 4 | 0 | 60 | 282.428 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
