In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 6-[(1S)-1-aminobutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one 6-[(1S)-1-aminobutyl]-4-(2-dimet…
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) | 0.97 | 7.41 | -108.98 | 4 | 5 | 2 | 62 | 321.465 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 4.87 | -57.46 | 3 | 5 | 1 | 60 | 320.457 | 6 | ↓ |