In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 2-methyl-N-[3-(piperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]propanamide 2-methyl-N-[3-(piperazine-1-carb…
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) | 1.39 | 6.23 | -57.4 | 3 | 5 | 1 | 66 | 336.481 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 4.86 | -11.31 | 2 | 5 | 0 | 61 | 335.473 | 3 | ↓ |