In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 29 | 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) | 2.60 | -0.3 | -21.91 | 2 | 9 | 0 | 123 | 434.499 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.60 | -0.23 | -43.59 | 1 | 9 | -1 | 125 | 433.491 | 8 | ↓ |