In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 26 | Yes |
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) | 0.89 | 2.36 | -46.01 | 4 | 8 | 1 | 95 | 370.518 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 2.37 | -45.03 | 4 | 8 | 1 | 95 | 370.518 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 0.13 | -18.18 | 3 | 8 | 0 | 94 | 369.51 | 10 | ↓ |