In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 32 | 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) | 2.55 | 7.35 | -27.67 | 1 | 8 | 0 | 103 | 495.026 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 5.98 | -62.04 | 0 | 8 | -1 | 107 | 494.018 | 5 | ↓ |