In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 16 | Yes |
Popular Name: (3R,4S)-N,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (3R,4S)-N,3-dimethyl-1-[(3-methy…
None
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) | 0.47 | 2.35 | -41.02 | 2 | 5 | 1 | 55 | 225.316 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.47 | 1.57 | -43.03 | 2 | 5 | 1 | 59 | 225.316 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 3.46 | -107.36 | 3 | 5 | 2 | 60 | 226.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.