In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 24 | Yes |
Popular Name: 4-[[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic 4-[[4-(2-dimethylaminoethyl)-3-o…
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) | 0.20 | 5.24 | -76.83 | 2 | 8 | 0 | 103 | 335.36 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.7 | -51.23 | 1 | 8 | -1 | 102 | 334.352 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.20 | 4.12 | -52.59 | 3 | 8 | 1 | 100 | 336.368 | 7 | ↓ |