| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 4-[(1S)-1-aminoethyl]-N-(2-cyanoethyl)-N-isobutyl-benzenesulfonamide 4-[(1S)-1-aminoethyl]-N-(2-cyano…
| 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) | -0.30 | 4.66 | -58.13 | 3 | 5 | 1 | 89 | 310.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 4.34 | -11.58 | 2 | 5 | 0 | 87 | 309.435 | 7 | ↓ |
