In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 32 | 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) | 1.56 | 1.64 | -65.04 | 2 | 9 | -1 | 129 | 505.297 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 2.56 | -121.57 | 1 | 9 | -2 | 131 | 504.289 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 0.89 | -21.09 | 3 | 9 | 0 | 126 | 506.305 | 6 | ↓ |