In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: 1-(3-bromophenyl)-N-[(3-chloro-4-fluoro-phenyl)methyl]methanamine 1-(3-bromophenyl)-N-[(3-chloro-4…
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) | 4.45 | 9.42 | -55.32 | 2 | 1 | 1 | 17 | 329.62 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 8.07 | -5.8 | 1 | 1 | 0 | 12 | 328.612 | 4 | ↓ |