In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 19 | Yes |
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) | 0.32 | 3.59 | -50.83 | 4 | 4 | 1 | 70 | 256.329 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.32 | 3.99 | -87.84 | 5 | 4 | 2 | 71 | 257.337 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.