In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 15 | Yes |
Popular Name: (1S)-N-[(5-bromo-2-thienyl)methyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[(5-bromo-2-thienyl)methy…
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) | 3.03 | 5.94 | -39.66 | 2 | 2 | 1 | 26 | 291.234 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 4.65 | -3.43 | 1 | 2 | 0 | 21 | 290.226 | 4 | ↓ |