In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 21 | Yes |
Popular Name: N-methyl-1-[(3R)-1-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]methanamine N-methyl-1-[(3R)-1-[[3-(2-pyridy…
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) | 1.26 | 2.85 | -49.45 | 2 | 6 | 1 | 72 | 288.375 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 3.81 | -43.28 | 2 | 6 | 1 | 68 | 288.375 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.26 | 5.67 | -165.44 | 4 | 6 | 3 | 74 | 290.391 | 5 | ↓ |