In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 18 | Yes |
Popular Name: (4-dimethylaminophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (4-dimethylaminophenyl)-[(2S)-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) | 0.63 | 4.91 | -51.85 | 2 | 4 | 1 | 40 | 248.35 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 3.59 | -8.42 | 1 | 4 | 0 | 36 | 247.342 | 2 | ↓ |