In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 17 | 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) | 2.16 | 5.36 | -66.27 | 3 | 4 | 0 | 77 | 243.347 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 3.38 | -40.35 | 4 | 4 | 1 | 74 | 244.355 | 8 | ↓ |