In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 29 | No |
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) | 1.15 | 8.37 | -41.4 | 1 | 10 | 0 | 118 | 414.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 7.27 | -63.18 | 0 | 10 | -1 | 121 | 413.391 | 5 | ↓ |