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) | 1.21 | 8.17 | -60.55 | 2 | 9 | 1 | 97 | 469.562 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 6.01 | -40.6 | 1 | 9 | 0 | 103 | 468.554 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.