In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 19 | 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) | 1.90 | 5.68 | -17.1 | 0 | 5 | 0 | 63 | 277.28 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.90 | 6.05 | -44.07 | 1 | 5 | 1 | 64 | 278.288 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.