In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (4-tert-butylpiperazin-1-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone (4-tert-butylpiperazin-1-yl)-[(2…
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) | 0.00 | -0.35 | -40.9 | 3 | 5 | 1 | 60 | 256.37 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.00 | 1.71 | -95.4 | 4 | 5 | 2 | 62 | 257.378 | 2 | ↓ |