In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 20 | Yes |
Popular Name: 2-[(2R)-1-[(5-tert-butyloxazol-2-yl)methyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(5-tert-butyloxazol-2…
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) | 3.17 | 4 | -43.18 | 2 | 4 | 1 | 46 | 280.436 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 6.08 | -102.14 | 3 | 4 | 2 | 47 | 281.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.