In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 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) | 1.97 | 6.4 | -8.07 | 3 | 4 | 0 | 64 | 250.305 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 6.87 | -28.62 | 4 | 4 | 1 | 65 | 251.313 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.