In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | No |
Popular Name: N-allyl-2-[4-[(2S)-2-bromo-3-methyl-butanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2S)-2-bromo-3-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) | 1.65 | 3.52 | -14.01 | 1 | 5 | 0 | 53 | 346.269 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 5.67 | -53.08 | 2 | 5 | 1 | 54 | 347.277 | 6 | ↓ |