In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | No |
Popular Name: N'-[(2-chloro-5-nitro-phenyl)methyl]-N,N-dimethyl-butane-1,4-diamine N'-[(2-chloro-5-nitro-phenyl)met…
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) | 2.63 | 9.29 | -103.23 | 3 | 5 | 2 | 67 | 287.791 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 7.93 | -37.71 | 2 | 5 | 1 | 62 | 286.783 | 8 | ↓ |