In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone [(2S,4S)-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) | 0.11 | 0.79 | -44.38 | 3 | 5 | 1 | 60 | 296.416 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 3.01 | -102.01 | 4 | 5 | 2 | 62 | 297.424 | 3 | ↓ |