In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 14 | Yes |
Popular Name: (1R,2S)-1-(4-bromophenyl)-N1,N1-dimethyl-propane-1,2-diamine (1R,2S)-1-(4-bromophenyl)-N1,N1-…
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) | 1.94 | 3.14 | -42.02 | 3 | 2 | 1 | 31 | 258.183 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 5.89 | -121.48 | 4 | 2 | 2 | 32 | 259.191 | 3 | ↓ |