In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 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) | 2.39 | 2.35 | -14.49 | 1 | 6 | 0 | 64 | 349.366 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 2.8 | -28.55 | 2 | 6 | 1 | 65 | 350.374 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.