In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 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) | 3.23 | 8.24 | -12.53 | 1 | 5 | 0 | 49 | 378.27 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 8.52 | -38.59 | 2 | 5 | 1 | 50 | 379.278 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.