In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 31 | 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) | 3.56 | 11.27 | -45.67 | 3 | 7 | 1 | 98 | 424.521 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 10.78 | -19.28 | 2 | 7 | 0 | 97 | 423.513 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.