In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 34 | 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) | 1.41 | 7.96 | -53.15 | 3 | 9 | 1 | 101 | 473.573 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 5.55 | -45.57 | 2 | 9 | 0 | 107 | 472.565 | 10 | ↓ |