In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 18 | 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) | 1.89 | 2.7 | -14.12 | 3 | 5 | 0 | 85 | 283.74 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 2.77 | -39.19 | 2 | 5 | -1 | 87 | 282.732 | 3 | ↓ |