In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-2-carboxylic (2S)-1-(4-prop-2-ynylpiperazin-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) | -1.54 | 3.58 | -52.16 | 0 | 7 | -1 | 84 | 314.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.54 | 5.83 | -61.49 | 1 | 7 | 0 | 85 | 315.395 | 4 | ↓ |