In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 19 | Yes |
None
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) | 2.99 | 4.33 | -41.5 | 4 | 4 | 1 | 62 | 375.23 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 3.16 | -8.14 | 3 | 4 | 0 | 57 | 374.222 | 6 | ↓ |