In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2011 | 16 | Yes |
Popular Name: N-methyl-2-[(5-methylisoxazol-3-yl)methyl-propyl-amino]acetamide N-methyl-2-[(5-methylisoxazol-3-…
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) | 1.17 | 4.13 | -38.45 | 2 | 5 | 1 | 60 | 226.3 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 2.07 | -10.96 | 1 | 5 | 0 | 58 | 225.292 | 6 | ↓ |