In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | Yes |
Popular Name: [1-isopropyl-4-[(2R)-2-methylmorpholin-4-yl]-4-piperidyl]methanamine [1-isopropyl-4-[(2R)-2-methylmor…
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) | 0.52 | 2.72 | -108.84 | 4 | 4 | 2 | 45 | 257.422 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 2.38 | -33.27 | 3 | 4 | 1 | 43 | 256.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.