In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 29 | 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) | 2.36 | 9.66 | -45.13 | 1 | 5 | 1 | 43 | 395.571 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 7.6 | -5.86 | 0 | 5 | 0 | 41 | 394.563 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.