In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 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) | -0.50 | 0.36 | -16.34 | 2 | 8 | 0 | 93 | 340.424 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.50 | 2.6 | -51.56 | 3 | 8 | 1 | 94 | 341.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.