In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 18 | Yes |
Popular Name: (2S)-1-(3-chlorophenoxy)-3-piperazin-1-yl-propan-2-ol (2S)-1-(3-chlorophenoxy)-3-piper…
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) | 1.33 | 1.58 | -41.19 | 3 | 4 | 1 | 49 | 271.768 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 0.22 | -5.79 | 2 | 4 | 0 | 45 | 270.76 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 4.15 | -123.82 | 4 | 4 | 2 | 51 | 272.776 | 5 | ↓ |