In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 21 | Yes |
Popular Name: 2-cyclopentyl-1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 2-cyclopentyl-1-[4-[(2S)-2-hydro…
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) | 2.67 | 4.76 | -8.35 | 1 | 4 | 0 | 44 | 296.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 7.04 | -45.4 | 2 | 4 | 1 | 45 | 297.463 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.