In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 18 | Yes |
Popular Name: 1-[(1S)-3-(3,4-dichlorophenyl)-1-methyl-propyl]piperazine 1-[(1S)-3-(3,4-dichlorophenyl)-1…
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) | 3.58 | 6.89 | -42.01 | 2 | 2 | 1 | 20 | 288.242 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 8.87 | -124.2 | 3 | 2 | 2 | 21 | 289.25 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 7.47 | -39.48 | 2 | 2 | 1 | 16 | 288.242 | 4 | ↓ |