In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 21 | Yes |
Popular Name: (2R)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[[4-[(1R)-1-methylpropyl]…
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) | 2.78 | 5.87 | -33.59 | 2 | 4 | 1 | 29 | 290.431 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 3.92 | -5.04 | 1 | 4 | 0 | 28 | 289.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.