In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-1-(4-bromophenyl)-N1-butyl-N1-methyl-propane-1,2-diamine (1R,2R)-1-(4-bromophenyl)-N1-but…
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) | 3.38 | 7.75 | -120.47 | 4 | 2 | 2 | 32 | 301.272 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 7.43 | -36.82 | 3 | 2 | 1 | 30 | 300.264 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 6.3 | -43.7 | 3 | 2 | 1 | 31 | 300.264 | 6 | ↓ |