In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2006 | 38 | 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) | 0.60 | 2.05 | -80.32 | 7 | 12 | 0 | 211 | 529.498 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 1.65 | -59.08 | 6 | 12 | -1 | 209 | 528.49 | 4 | ↓ |