In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 33 | 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) | 0.58 | 10.26 | -24.43 | 1 | 9 | 0 | 90 | 451.575 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 10.38 | -47.25 | 2 | 9 | 1 | 91 | 452.583 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.