In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 18 | 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 | 6.1 | -6.56 | 1 | 2 | 0 | 33 | 255.342 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 6.57 | -34.85 | 2 | 2 | 1 | 34 | 256.35 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.