In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (5S)-8-bromo-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-8-bromo-N-[(1R)-1-phenyleth…
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) | 3.93 | 10.44 | -37.31 | 2 | 2 | 1 | 26 | 347.276 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 9.7 | -4.82 | 1 | 2 | 0 | 21 | 346.268 | 3 | ↓ |