In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: [(2R)-2-piperidyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone [(2R)-2-piperidyl]-[4-(2-thienyl…
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) | 1.53 | 4.97 | -39.19 | 2 | 4 | 1 | 40 | 294.444 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 3.71 | -8.59 | 1 | 4 | 0 | 36 | 293.436 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.53 | 7.19 | -100 | 3 | 4 | 2 | 41 | 295.452 | 3 | ↓ |