In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 18 | Yes |
Popular Name: piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone piperazin-1-yl-[(3S)-1,2,3,4-tet…
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) | 0.12 | 3.01 | -51.31 | 3 | 4 | 1 | 49 | 246.334 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 1.73 | -8.03 | 2 | 4 | 0 | 44 | 245.326 | 1 | ↓ |