In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2008 | 33 | 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) | -1.02 | 6.16 | -41.09 | 4 | 10 | 0 | 153 | 453.451 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.02 | 7.08 | -63.67 | 3 | 10 | -1 | 156 | 452.443 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.02 | 4.57 | -57.77 | 3 | 10 | -1 | 148 | 452.443 | 5 | ↓ |