In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2007 | 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) | 4.58 | 0.04 | -21.11 | 0 | 4 | 0 | 46 | 483.659 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.58 | 0.15 | -53.17 | 1 | 4 | 1 | 47 | 484.667 | 9 | ↓ |