In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2009 | 25 | 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) | 3.12 | 6.09 | -53.87 | 2 | 5 | 1 | 59 | 376.889 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 4.68 | -11.32 | 1 | 5 | 0 | 54 | 375.881 | 3 | ↓ |