In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 23 | 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) | 0.50 | 4.43 | -21.36 | 1 | 8 | 0 | 91 | 349.445 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 5.82 | -57.14 | 2 | 8 | 1 | 95 | 350.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.