In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 21 | Yes |
Popular Name: N'-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-[4-(2-chlorophenyl)piperaz…
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) | 2.03 | 5.25 | -40.93 | 2 | 4 | 1 | 26 | 311.881 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 3.88 | -3 | 1 | 4 | 0 | 22 | 310.873 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 6.36 | -34.68 | 2 | 4 | 1 | 23 | 311.881 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 7.72 | -113.24 | 3 | 4 | 2 | 28 | 312.889 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 8.56 | -88.52 | 3 | 4 | 2 | 24 | 312.889 | 7 | ↓ |