In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 14 | 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) | 1.60 | 1.94 | -7.77 | 1 | 4 | 0 | 59 | 256.055 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.06 | -0.02 | -39.94 | 0 | 4 | -1 | 62 | 255.047 | 1 | ↓ |