In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 19 | Yes |
Popular Name: N-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]-N-methyl-1-phenyl-methanamine N-[[4-(aminomethyl)-2-fluoro-phe…
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) | 2.42 | 8.19 | -94.75 | 4 | 2 | 2 | 32 | 260.356 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.35 | -5.2 | 2 | 2 | 0 | 29 | 258.34 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.77 | -49.99 | 3 | 2 | 1 | 31 | 259.348 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 7.8 | -35.87 | 3 | 2 | 1 | 30 | 259.348 | 5 | ↓ |