In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: (2S)-6-[(1S)-1-aminoethyl]-4-(2-dimethylaminoethyl)-2-isopropyl-1,4-benzoxazin-3-one (2S)-6-[(1S)-1-aminoethyl]-4-(2-…
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) | 0.21 | 6.33 | -104.91 | 4 | 5 | 2 | 62 | 307.438 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.21 | 3.86 | -55.97 | 3 | 5 | 1 | 60 | 306.43 | 5 | ↓ |