In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-[[[1-(4-bromophenyl)-1-methyl-ethyl]amino]methyl]-4-chloro-phenol 2-[[[1-(4-bromophenyl)-1-methyl-…
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) | 5.30 | 7.65 | -41.93 | 3 | 2 | 1 | 37 | 355.683 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.30 | 6.54 | -4.47 | 2 | 2 | 0 | 32 | 354.675 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.30 | 8.4 | -28.86 | 2 | 2 | 0 | 40 | 354.675 | 4 | ↓ |