In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 30 | 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) | 4.66 | 10.22 | -46.01 | 0 | 6 | -1 | 88 | 423.514 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 11.99 | -9.12 | 1 | 6 | 0 | 85 | 424.522 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.