In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 29 | Yes |
Popular Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-1-methyl-indol-2-yl)methanone [4-(1,3-benzodioxol-5-ylmethyl)p…
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) | 3.74 | 8.32 | -12.84 | 0 | 6 | 0 | 47 | 411.889 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 10.55 | -60.35 | 1 | 6 | 1 | 48 | 412.897 | 3 | ↓ |