In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 25 | 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) | -5.35 | 9.77 | -83.08 | 2 | 6 | 2 | 58 | 358.571 | 14 | ↓ |
Hi High (pH 8-9.5) | -5.34 | 8.19 | -72.47 | 2 | 6 | 1 | 64 | 357.563 | 14 | ↓ |