In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2010 | 22 | No |
Popular Name: 2-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-oxo-propyl]sulfanylacetamide 2-[3-[4-[(5-chloro-2-thienyl)met…
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) | 1.18 | 3.65 | -13.9 | 2 | 5 | 0 | 67 | 361.92 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 5.86 | -54.6 | 3 | 5 | 1 | 68 | 362.928 | 7 | ↓ |