In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 28 | 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) | 2.34 | 7.35 | -45.44 | 2 | 7 | 1 | 82 | 399.496 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 5.43 | -17.22 | 1 | 7 | 0 | 80 | 398.488 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.