In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 20 | Yes |
Popular Name: (2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[(4-ethyl-4-methyl-1-pipe…
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) | 3.58 | 7.94 | -36.84 | 2 | 3 | 1 | 26 | 275.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 5.63 | -5.09 | 1 | 3 | 0 | 24 | 274.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.