In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 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) | 1.30 | 10.82 | -51.45 | 2 | 9 | 1 | 92 | 467.594 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 8.58 | -57.58 | 1 | 9 | 0 | 98 | 466.586 | 7 | ↓ |