In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2006 | 19 | 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) | 1.37 | 4.54 | -53.86 | 3 | 4 | 1 | 59 | 259.329 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 4.82 | -116.24 | 4 | 4 | 2 | 60 | 260.337 | 6 | ↓ |