| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: 4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophene-2-sulfonamide 4-[4-[(2S)-2-hydroxybutyl]pipera…
| 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) | -0.40 | -3.03 | -18.16 | 3 | 7 | 0 | 104 | 347.462 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | -2.55 | -47.47 | 2 | 7 | -1 | 101 | 346.454 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | -0.77 | -57.56 | 4 | 7 | 1 | 105 | 348.47 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
