In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 21 | Yes |
Popular Name: 5-amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-benzonitrile 5-amino-2-[4-(2-hydroxyethyl)pip…
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) | -0.73 | -2.77 | -14.29 | 3 | 7 | 0 | 111 | 310.379 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.73 | -0.47 | -42.59 | 4 | 7 | 1 | 112 | 311.387 | 4 | ↓ |