In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 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) | 4.75 | 11.55 | -51.43 | 4 | 7 | 1 | 92 | 459.57 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 9.3 | -23.7 | 3 | 7 | 0 | 91 | 458.562 | 8 | ↓ |