In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 21 | Yes |
Popular Name: 3-[4-[(5-bromo-3-pyridyl)sulfonyl]piperazin-1-yl]propanoic 3-[4-[(5-bromo-3-pyridyl)sulfony…
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) | 0.54 | 4.41 | -54.99 | 1 | 7 | 0 | 95 | 378.248 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 2.2 | -46.98 | 0 | 7 | -1 | 94 | 377.24 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.