In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 31 | No |
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) | 1.86 | 8.53 | -19.33 | 1 | 7 | 0 | 90 | 434.521 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 8.97 | -59.05 | 2 | 7 | 1 | 91 | 435.529 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.