In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | 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) | 3.00 | 5.06 | -13.49 | 0 | 9 | 0 | 83 | 510.587 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 7.33 | -51.64 | 1 | 9 | 1 | 84 | 511.595 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.