In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2006 | 34 | 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) | 4.45 | -4.2 | -16.93 | 1 | 8 | 0 | 97 | 499.662 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.45 | -3.62 | -47.07 | 0 | 8 | -1 | 99 | 498.654 | 10 | ↓ |