In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: [(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-isobutylpiperazin-1-yl)methanone [(2S,4R)-4-hydroxypyrrolidin-2-y…
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) | -0.06 | 0.54 | -37.61 | 3 | 5 | 1 | 60 | 256.37 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 2.48 | -93.5 | 4 | 5 | 2 | 62 | 257.378 | 3 | ↓ |