In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 36 | 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) | 4.58 | 14.05 | -53.74 | 2 | 6 | 1 | 63 | 496.647 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 11.53 | -47.83 | 1 | 6 | 0 | 69 | 495.639 | 9 | ↓ |