In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: 1-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]-2-piperazin-1-yl-ethanone 1-[(2S)-2-(o-tolyl)pyrrolidin-1-…
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) | 1.38 | 6.25 | -42.69 | 2 | 4 | 1 | 40 | 288.415 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 4.88 | -9.55 | 1 | 4 | 0 | 36 | 287.407 | 3 | ↓ |