In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: (2R)-6-[(1S)-1-aminobutyl]-4-[3-(dimethylamino)propyl]-2-methyl-1,4-benzoxazin-3-one (2R)-6-[(1S)-1-aminobutyl]-4-[3-…
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) | 0.80 | 7.65 | -103.91 | 4 | 5 | 2 | 62 | 321.465 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 5.13 | -59.05 | 3 | 5 | 1 | 60 | 320.457 | 7 | ↓ |