In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2009 | 24 | Yes |
Popular Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-2,2-dimethyl-propanamide N-[3-(4-benzylpiperazin-1-yl)-3-…
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) | 2.36 | 5.88 | -18.64 | 1 | 5 | 0 | 53 | 331.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 8.22 | -59.01 | 2 | 5 | 1 | 54 | 332.468 | 6 | ↓ |