In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | No |
Popular Name: 1-[4-(3-thienylmethyl)piperazin-1-yl]butane-1,3-dione 1-[4-(3-thienylmethyl)piperazin-…
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) | 0.36 | 5.99 | -18.18 | 0 | 4 | 0 | 41 | 266.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 8.21 | -57.15 | 1 | 4 | 1 | 42 | 267.374 | 4 | ↓ |