In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 17 | 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) | 2.31 | 4.43 | -48.45 | 3 | 3 | 1 | 46 | 250.343 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 4.13 | -8.68 | 2 | 3 | 0 | 44 | 249.335 | 5 | ↓ |