In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 18 | Yes |
Popular Name: 3-[4-(2-methylbenzyl)piperazin-1-yl]propan-1-amine 3-[4-(2-methylbenzyl)piperazin-1…
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) | 1.11 | 5.15 | -106.28 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 5.08 | -91.77 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 2.78 | -44.03 | 3 | 3 | 1 | 34 | 248.394 | 5 | ↓ |