In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 22 | 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) | 4.82 | 11.77 | -34.78 | 1 | 3 | 1 | 22 | 300.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.82 | 9.84 | -7.7 | 0 | 3 | 0 | 21 | 299.462 | 5 | ↓ |