In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 35 | 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) | 1.93 | 8.03 | -58.09 | 2 | 9 | 1 | 97 | 524.425 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.11 | 5.75 | -39.84 | 1 | 9 | 0 | 103 | 523.417 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.