In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 35 | 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) | 5.02 | 11.55 | -54.34 | 3 | 6 | 1 | 80 | 496.628 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.02 | 11.61 | -84.23 | 2 | 6 | 0 | 82 | 495.62 | 7 | ↓ |