In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2009 | 23 | 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) | 3.75 | 9.79 | -20.31 | 1 | 4 | 0 | 66 | 319.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.82 | 8.88 | -45.53 | 0 | 4 | -1 | 72 | 318.381 | 3 | ↓ |