In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-(2-pyridylmethyl)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) | -0.96 | 0.18 | -45.84 | 3 | 6 | 1 | 73 | 291.375 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.96 | 0.18 | -83.99 | 4 | 6 | 2 | 75 | 292.383 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.96 | 2.4 | -101.05 | 4 | 6 | 2 | 74 | 292.383 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.96 | 2.39 | -182.9 | 5 | 6 | 3 | 76 | 293.391 | 3 | ↓ |