In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 27 | Yes |
None
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) | 4.42 | 11.32 | -42.09 | 2 | 3 | 1 | 29 | 359.493 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.42 | 9.96 | -5.26 | 1 | 3 | 0 | 24 | 358.485 | 6 | ↓ |