In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 1.06 | 9.04 | -111.81 | 4 | 7 | 2 | 83 | 437.588 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 7.03 | -68.39 | 3 | 7 | 1 | 82 | 436.58 | 6 | ↓ |