In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 21 | Yes |
Popular Name: N-isopropyl-N-methyl-4-[(5-methylisoxazol-3-yl)methyl]piperazine-1-sulfonamide N-isopropyl-N-methyl-4-[(5-methy…
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) | 0.63 | 2.03 | -11.87 | 0 | 7 | 0 | 70 | 316.427 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.63 | 4.25 | -47.35 | 1 | 7 | 1 | 71 | 317.435 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.