| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 26 | Yes |
Popular Name: 2-[[4-[[(3S)-1-(2-cyanoethyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[(3S)-1-(2-cyanoethyl)pip…
| 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) | -1.10 | 6.83 | -90.37 | 3 | 8 | 0 | 127 | 358.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | 4.59 | -53.31 | 2 | 8 | -1 | 125 | 357.39 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
