In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: 3-methyl-1-[4-[(2S)-piperidine-2-carbonyl]piperazin-1-yl]butan-1-one 3-methyl-1-[4-[(2S)-piperidine-2…
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) | 1.21 | 5.64 | -42.2 | 2 | 5 | 1 | 57 | 282.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 4.4 | -10.65 | 1 | 5 | 0 | 53 | 281.4 | 3 | ↓ |