In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 18 | Yes |
Popular Name: 1-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]cyclohexanol 1-[[4-[(2R)-2-hydroxypropyl]pipe…
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) | 1.31 | 2.52 | -32.46 | 3 | 4 | 1 | 48 | 257.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 0.23 | -3.88 | 2 | 4 | 0 | 47 | 256.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 1.97 | -32.11 | 3 | 4 | 1 | 48 | 257.398 | 4 | ↓ |