In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 29 | 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) | 2.92 | 3.56 | -24.41 | 1 | 8 | 0 | 110 | 438.527 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 3.64 | -66.43 | 0 | 8 | -1 | 112 | 437.519 | 5 | ↓ |