| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: 2,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzenesulfonamide 2,5-dibromo-N-[[(2S)-1-ethylpyrr…
| 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) | 3.35 | 6.3 | -38.44 | 2 | 4 | 1 | 51 | 427.182 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.26 | -6.71 | 1 | 4 | 0 | 49 | 426.174 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 5.76 | -29.95 | 1 | 4 | 0 | 53 | 426.174 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
