In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 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) | 4.22 | 13.02 | -19.79 | 1 | 8 | 0 | 91 | 509.657 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.40 | 11.59 | -53.49 | 0 | 8 | -1 | 97 | 508.649 | 10 | ↓ |