In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2011 | 20 | 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) | 1.54 | 5.14 | -8.82 | 3 | 5 | 0 | 75 | 270.336 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 5.61 | -25.08 | 4 | 5 | 1 | 76 | 271.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.