In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | Yes |
Popular Name: (2R)-1-(3,5-dimethylphenoxy)-3-piperazin-1-yl-propan-2-ol (2R)-1-(3,5-dimethylphenoxy)-3-p…
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) | 1.50 | 2.3 | -41.83 | 3 | 4 | 1 | 49 | 265.377 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 0.96 | -6.61 | 2 | 4 | 0 | 45 | 264.369 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 4.84 | -124.21 | 4 | 4 | 2 | 51 | 266.385 | 5 | ↓ |