In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 17 | Yes |
Popular Name: (2R)-N1-[(1S)-1-(2,4-dibromophenyl)ethyl]-N2,N2-dimethyl-propane-1,2-diamine (2R)-N1-[(1S)-1-(2,4-dibromophen…
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) | 3.96 | 6.87 | -37.97 | 2 | 2 | 1 | 20 | 365.133 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 5.5 | -1.47 | 1 | 2 | 0 | 15 | 364.125 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 8.05 | -35.09 | 2 | 2 | 1 | 16 | 365.133 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 8.95 | -121.12 | 3 | 2 | 2 | 21 | 366.141 | 5 | ↓ |