In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 20 | No |
Popular Name: 4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxy-propyl]piperazine-1-carbaldehyde 4-[(2S)-2-(3,4-dimethylphenyl)-2…
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) | 1.84 | 4.93 | -11.26 | 1 | 4 | 0 | 44 | 276.38 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 6.62 | -50.41 | 2 | 4 | 1 | 45 | 277.388 | 3 | ↓ |