In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2006 | 16 | 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) | 3.52 | -2.7 | -8.63 | 1 | 3 | 0 | 46 | 241.356 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.52 | -2.12 | -39.78 | 0 | 3 | -1 | 48 | 240.348 | 6 | ↓ |