In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 24 | Yes |
Popular Name: [(2R)-6-methyl-2,3-dihydrobenzothiophen-2-yl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone [(2R)-6-methyl-2,3-dihydrobenzot…
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) | 3.32 | 9.32 | -8.6 | 0 | 3 | 0 | 24 | 358.532 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 11.59 | -45.35 | 1 | 3 | 1 | 25 | 359.54 | 3 | ↓ |