In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 35 | 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) | 4.26 | 12.96 | -18.66 | 1 | 8 | 0 | 91 | 507.641 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.45 | 11.53 | -50.17 | 0 | 8 | -1 | 97 | 506.633 | 11 | ↓ |