In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 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) | 2.94 | 9.5 | -54.72 | 3 | 7 | 1 | 92 | 495.64 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 7.1 | -16.51 | 2 | 7 | 0 | 90 | 494.632 | 7 | ↓ |