In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2006 | 26 | 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) | 4.06 | 7.64 | -14.58 | 2 | 6 | 0 | 80 | 392.843 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 7.44 | -46.98 | 1 | 6 | -1 | 78 | 391.835 | 6 | ↓ |