In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 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) | 3.58 | 1.94 | -12.17 | 1 | 5 | 0 | 60 | 413.399 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 2.05 | -42.85 | 2 | 5 | 1 | 61 | 414.407 | 6 | ↓ |