In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 33 | No |
None
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) | 1.01 | 9.63 | -18.54 | 0 | 8 | 0 | 91 | 444.491 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 10.14 | -40.43 | 1 | 8 | 1 | 92 | 445.499 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.