In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2010 | 20 | Yes |
Popular Name: 1-but-3-ynyl-4-[(6-chloro-3-pyridyl)sulfonyl]piperazine 1-but-3-ynyl-4-[(6-chloro-3-pyri…
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) | 1.52 | 2.69 | -9.99 | 0 | 5 | 0 | 54 | 313.81 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 4.92 | -51.28 | 1 | 5 | 1 | 55 | 314.818 | 4 | ↓ |