In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2009 | 37 | No |
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) | -5.16 | 8.47 | -196.26 | 2 | 16 | -3 | 255 | 525.447 | 19 | ↓ |
Hi High (pH 8-9.5) | -5.16 | 8.79 | -188.56 | 2 | 16 | -3 | 259 | 525.447 | 19 | ↓ |
Lo Low (pH 4.5-6) | -5.16 | 10.11 | -136.28 | 3 | 16 | -2 | 260 | 526.455 | 19 | ↓ |
Lo Low (pH 4.5-6) | -5.16 | 12.75 | -169.47 | 2 | 16 | -3 | 259 | 525.447 | 19 | ↓ |