In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 32 | 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) | 3.86 | 6.08 | -32.93 | 3 | 7 | 1 | 99 | 434.447 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.86 | -2.32 | -40.95 | 3 | 7 | 1 | 98 | 434.447 | 5 | ↓ |