In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 33 | No |
None
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) | 1.76 | 7.35 | -42.98 | 4 | 8 | 1 | 101 | 472.635 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 6.89 | -15.24 | 3 | 8 | 0 | 99 | 471.627 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 8.07 | -54.74 | 4 | 8 | 1 | 104 | 472.635 | 8 | ↓ |