In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 18 | Yes |
Popular Name: 2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]sulfanylpyrimidin-4-ol 2-[(1R)-2-amino-1-(4-chloropheny…
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) | 2.00 | 4.17 | -63.33 | 4 | 4 | 1 | 73 | 282.776 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 1.75 | -45.97 | 2 | 4 | -1 | 75 | 280.76 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 2.32 | -68.49 | 3 | 4 | 0 | 76 | 281.768 | 4 | ↓ |