| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: 4-[(2S)-2-amino-2-phenyl-propanoyl]piperazine-1-sulfonamide 4-[(2S)-2-amino-2-phenyl-propano…
| 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) | -0.25 | -1.33 | -14.58 | 4 | 7 | 0 | 110 | 312.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | -0.77 | -39.47 | 3 | 7 | -1 | 107 | 311.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | -1.07 | -58.61 | 5 | 7 | 1 | 111 | 313.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
