In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 34 | 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) | 1.43 | 5.78 | -59.03 | 2 | 9 | 1 | 93 | 475.61 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 3.83 | -38.62 | 1 | 9 | 0 | 99 | 474.602 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.