In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2010 | 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) | 2.90 | 10.82 | -39.59 | 1 | 4 | 1 | 34 | 377.505 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 8.8 | -9.34 | 0 | 4 | 0 | 33 | 376.497 | 8 | ↓ |