In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 27 | 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) | 5.43 | 7.18 | -10.41 | 2 | 4 | 0 | 67 | 364.441 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.43 | 7.73 | -53.08 | 1 | 4 | -1 | 70 | 363.433 | 2 | ↓ |