In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 34 | 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) | 0.24 | 6.01 | -40.07 | 4 | 9 | 0 | 144 | 468.506 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.24 | 3.86 | -63.7 | 3 | 9 | -1 | 139 | 467.498 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.24 | 5.67 | -93.05 | 3 | 9 | -1 | 147 | 467.498 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 5.08 | -50.51 | 3 | 9 | -1 | 139 | 467.498 | 8 | ↓ |