In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 29th, 2011 | 17 | Yes |
Popular Name: 2-methyl-1-[4-(2-thienylmethyl)piperazin-1-yl]propan-1-one 2-methyl-1-[4-(2-thienylmethyl)p…
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) | 1.98 | 5.35 | -8.58 | 0 | 3 | 0 | 24 | 252.383 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 7.57 | -45.77 | 1 | 3 | 1 | 25 | 253.391 | 3 | ↓ |