In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 33 | 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) | -4.17 | -3.09 | -64.32 | 8 | 13 | 1 | 199 | 468.535 | 9 | ↓ |
Hi High (pH 8-9.5) | -4.17 | -3.49 | -27.01 | 7 | 13 | 0 | 197 | 467.527 | 9 | ↓ |