In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 32 | 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) | 3.35 | 10.18 | -22 | 2 | 5 | 0 | 79 | 432.564 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 10.45 | -45.26 | 3 | 5 | 1 | 81 | 433.572 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.