In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2009 | 25 | No |
Popular Name: (2R)-1-morpholino-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol (2R)-1-morpholino-3-[4-(2-nitrop…
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) | 1.07 | 2.37 | -10.77 | 1 | 8 | 0 | 85 | 350.419 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 4.76 | -48.02 | 2 | 8 | 1 | 86 | 351.427 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 4.75 | -46.08 | 2 | 8 | 1 | 86 | 351.427 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 7.14 | -119.53 | 3 | 8 | 2 | 87 | 352.435 | 6 | ↓ |