In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: N-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[[5-(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) | 1.93 | 7.59 | -179.89 | 5 | 3 | 3 | 37 | 270.416 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 4.72 | -30.77 | 3 | 3 | 1 | 34 | 268.4 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.02 | -34.3 | 3 | 3 | 1 | 34 | 268.4 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 2.95 | -50.95 | 3 | 3 | 1 | 34 | 268.4 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 5.42 | -89.51 | 4 | 3 | 2 | 35 | 269.408 | 8 | ↓ |