In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 19 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-isopropyl-piperazine 1-(1,3-benzodioxol-5-ylmethyl)-4…
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) | 2.20 | 5.59 | -38.13 | 1 | 4 | 1 | 26 | 263.361 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 3.32 | -5.29 | 0 | 4 | 0 | 25 | 262.353 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 5.65 | -41.05 | 1 | 4 | 1 | 26 | 263.361 | 3 | ↓ |