In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 31 | 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) | 2.05 | 8.55 | -28.82 | 1 | 7 | 0 | 72 | 437.466 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 8.67 | -52.46 | 2 | 7 | 1 | 73 | 438.474 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.