In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 19 | 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) | 2.41 | 1.04 | -19.38 | 3 | 5 | 0 | 95 | 256.213 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 1.98 | -51.4 | 2 | 5 | -1 | 98 | 255.205 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 1.84 | -60.75 | 2 | 5 | -1 | 98 | 255.205 | 0 | ↓ |