In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 36 | 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) | 4.57 | 8.91 | -16.99 | 3 | 9 | 0 | 143 | 483.459 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 9.24 | -60.58 | 4 | 9 | 1 | 144 | 484.467 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.