In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(1R)-1-(5-bromo-2-thienyl)ethyl]-1-(3-fluoro-4-methoxy-phenyl)ethanamine (1S)-N-[(1R)-1-(5-bromo-2-thieny…
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) | 4.99 | 8.66 | -47.97 | 2 | 2 | 1 | 26 | 359.284 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.99 | 7.52 | -5.33 | 1 | 2 | 0 | 21 | 358.276 | 5 | ↓ |