In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 18 | Yes |
Popular Name: 2,2-dimethyl-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one 2,2-dimethyl-1-[4-(3-thienylmeth…
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) | 2.24 | 5.16 | -8.56 | 0 | 3 | 0 | 24 | 266.41 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 7.39 | -47.99 | 1 | 3 | 1 | 25 | 267.418 | 3 | ↓ |