In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 24 | 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) | 1.80 | 4.91 | -10.24 | 2 | 6 | 0 | 80 | 327.384 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 5.36 | -40.61 | 3 | 6 | 1 | 82 | 328.392 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.