In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2006 | 33 | 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) | 2.95 | -4.09 | -21.16 | 2 | 10 | 0 | 124 | 491.595 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.95 | -3.51 | -45.24 | 1 | 10 | -1 | 126 | 490.587 | 10 | ↓ |