In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 20 | Yes |
Popular Name: N-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]-1-(2-fluorophenyl)-N-methyl-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) | 2.53 | 7.98 | -92.4 | 4 | 2 | 2 | 32 | 278.346 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 5.64 | -48.94 | 3 | 2 | 1 | 31 | 277.338 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 7.58 | -33.29 | 3 | 2 | 1 | 30 | 277.338 | 5 | ↓ |