In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 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) | 6.38 | 14.91 | -42.24 | 2 | 6 | 1 | 64 | 462.524 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.38 | 12.35 | -12.94 | 1 | 6 | 0 | 63 | 461.516 | 7 | ↓ |