In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2009 | 18 | Yes |
Popular Name: (1S)-2-(2-bromophenyl)-1-(4-fluoro-3-methyl-phenyl)ethanamine (1S)-2-(2-bromophenyl)-1-(4-fluo…
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) | 2.53 | 8.53 | -39.29 | 3 | 1 | 1 | 28 | 309.202 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 8.32 | -3.96 | 2 | 1 | 0 | 26 | 308.194 | 3 | ↓ |