| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 22 | Yes |
Popular Name: (2S,4S)-4-amino-1-[2-(azocan-1-yl)acetyl]-N-ethyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[2-(azocan-1-y…
| 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) | 0.08 | 3.88 | -112.59 | 5 | 6 | 2 | 81 | 312.458 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 2.35 | -14.41 | 3 | 6 | 0 | 79 | 310.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 3.6 | -39.31 | 4 | 6 | 1 | 80 | 311.45 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
