In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 17 | Yes |
Popular Name: 1-[(1S)-3-(3-bromophenyl)-1-methyl-propyl]piperazine 1-[(1S)-3-(3-bromophenyl)-1-meth…
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) | 3.08 | 6.53 | -42.46 | 2 | 2 | 1 | 20 | 298.248 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 7.12 | -37.31 | 2 | 2 | 1 | 16 | 298.248 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 8.52 | -123.36 | 3 | 2 | 2 | 21 | 299.256 | 4 | ↓ |