In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 21 | 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) | 1.94 | 2.85 | -6.68 | 3 | 5 | 0 | 71 | 289.379 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 4.56 | -31.22 | 4 | 5 | 1 | 72 | 290.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.