In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2010 | 25 | Yes |
Popular Name: (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3-methyl-butan-1-one (2S)-1-[4-(2,2-dimethylpropyl)pi…
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) | 4.50 | 9.04 | -8.53 | 0 | 4 | 0 | 33 | 346.515 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 10.51 | -43.73 | 1 | 4 | 1 | 34 | 347.523 | 6 | ↓ |