In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 17 | Yes |
Popular Name: N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-methyl-acetamide N-(2-aminoethyl)-2-(1,2-benzoxaz…
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) | 0.30 | 3.12 | -54.88 | 3 | 5 | 1 | 74 | 234.279 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 2.72 | -18.02 | 2 | 5 | 0 | 72 | 233.271 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.