In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 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) | 4.59 | 7.19 | -13.9 | 4 | 9 | 0 | 115 | 506.872 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.59 | 7.61 | -57.15 | 5 | 9 | 1 | 116 | 507.88 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.