In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2011 | 19 | Yes |
Popular Name: N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-piperazin-1-yl-ethanamine N-[(3-isopropyl-1,2,4-oxadiazol-…
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) | 0.20 | 2.41 | -99.38 | 3 | 6 | 2 | 63 | 269.393 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 1.07 | -43 | 2 | 6 | 1 | 59 | 268.385 | 6 | ↓ |