In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 6-[(1S)-1-aminoethyl]-4-[2-(1-piperidyl)ethyl]-1,4-benzoxazin-3-one 6-[(1S)-1-aminoethyl]-4-[2-(1-pi…
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) | 0.01 | 6.35 | -107.04 | 4 | 5 | 2 | 62 | 305.422 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.01 | 4.06 | -56.43 | 3 | 5 | 1 | 60 | 304.414 | 4 | ↓ |