In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 11th, 2006 | 24 | 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) | 4.51 | 11.33 | -38.15 | 2 | 3 | 1 | 34 | 357.524 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.51 | 8.91 | -9.67 | 1 | 3 | 0 | 32 | 356.516 | 7 | ↓ |