In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | No |
None
None
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) | 3.27 | 5.55 | -9.45 | 0 | 6 | 0 | 55 | 426.538 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 7.82 | -47.23 | 1 | 6 | 1 | 56 | 427.546 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.