In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 32 | 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) | 5.21 | 11.61 | -12.09 | 1 | 5 | 0 | 54 | 427.548 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.21 | 11.96 | -34.64 | 2 | 5 | 1 | 56 | 428.556 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.