In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 33 | 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) | 5.73 | 6.85 | -21.23 | 3 | 7 | 0 | 104 | 481.599 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.19 | 5.53 | -53.92 | 2 | 7 | -1 | 107 | 480.591 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.