In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 20 | Yes |
Popular Name: N'-[(3-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-thienylmethyl)ethane-1,2-diamine N'-[(3-fluorophenyl)methyl]-N,N-…
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) | 3.21 | 8.73 | -38.69 | 1 | 2 | 1 | 8 | 293.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 6.64 | -4.31 | 0 | 2 | 0 | 6 | 292.423 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 9.12 | -42.37 | 1 | 2 | 1 | 8 | 293.431 | 7 | ↓ |