In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 20 | No |
Popular Name: (2S)-N2,N2-dimethyl-N1-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,2-diamine (2S)-N2,N2-dimethyl-N1-[2-nitro-…
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) | 2.94 | 7.96 | -42.21 | 2 | 5 | 1 | 62 | 292.281 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.6 | -6.9 | 1 | 5 | 0 | 61 | 291.273 | 6 | ↓ |