In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 30 | 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) | 5.42 | -1.89 | -11.4 | 3 | 5 | 0 | 85 | 435.936 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.42 | -1.85 | -36.05 | 4 | 5 | 1 | 86 | 436.944 | 4 | ↓ |