In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 23 | Yes |
Popular Name: (2S)-2-(diethylamino)-2-(3-ethoxyphenyl)-1-piperazin-1-yl-ethanone (2S)-2-(diethylamino)-2-(3-ethox…
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) | 1.73 | 4.92 | -47.04 | 2 | 5 | 1 | 49 | 320.457 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 3.91 | -7.25 | 1 | 5 | 0 | 45 | 319.449 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 7.28 | -99.62 | 3 | 5 | 2 | 51 | 321.465 | 7 | ↓ |